N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide

C15H30N4O — CID 95571142

IUPACN'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC[C@H]1CN(CC(C)C)CCO1)N1CCCC1
InChIInChI=1S/C15H30N4O/c1-13(2)11-18-8-9-20-14(12-18)10-17-15(16-3)19-6-4-5-7-19/h13-14H,4-12H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyVBSKXMCCCLQBCH-AWEZNQCLSA-N
MW282.43 g/mol
LogP1.01
Rot. Bonds4

About N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide

N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide (PubChem CID 95571142) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
PubChem CID95571142
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC[C@H]1CN(CC(C)C)CCO1)N1CCCC1
InChIInChI=1S/C15H30N4O/c1-13(2)11-18-8-9-20-14(12-18)10-17-15(16-3)19-6-4-5-7-19/h13-14H,4-12H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyVBSKXMCCCLQBCH-AWEZNQCLSA-N
XLogP1.01
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253671
N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206612
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369903
1-(cyclopropylmethyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111368833
N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143795
4-(furan-2-carbonyl)-N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboximidamide
CID 111166111
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111324994
2-methyl-1-(4-methylpentyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369605
4-(3-methoxyphenyl)-N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111290680
6,7-dimethoxy-N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269338
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111369917

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide (CID 95571142) is N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide is C/N=C(/NC[C@H]1CN(CC(C)C)CCO1)N1CCCC1.
What is the InChIKey of N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide?
The InChIKey is VBSKXMCCCLQBCH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N4O/c1-13(2)11-18-8-9-20-14(12-18)10-17-15(16-3)19-6-4-5-7-19/h13-14H,4-12H2,1-3H3,(H,16,17)/t14-/m0/s1.
What are the key properties of N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide?
N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide has a molecular weight of 282.43 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 95571142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).