N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine

C15H33N3O — CID 168856384

IUPACN-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine
SMILESCC(C)NC[C@H]1CN(CCCN(C)C(C)C)CCO1
InChIInChI=1S/C15H33N3O/c1-13(2)16-11-15-12-18(9-10-19-15)8-6-7-17(5)14(3)4/h13-16H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyMWVCLVXLFLVDFZ-HNNXBMFYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds8

About N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine

N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine (PubChem CID 168856384) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine
PubChem CID168856384
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine
SMILESCC(C)NC[C@H]1CN(CCCN(C)C(C)C)CCO1
InChIInChI=1S/C15H33N3O/c1-13(2)16-11-15-12-18(9-10-19-15)8-6-7-17(5)14(3)4/h13-16H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyMWVCLVXLFLVDFZ-HNNXBMFYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine with MolForge

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Related Compounds

N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
CID 161322486
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 79164421
[[4-[2-[2-(propan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methylamino]methanethiol
CID 170250687
N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine
CID 106039993
3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526695
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
CID 62512571
N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 79171078
S-methyl N-[[4-[2-[2-(propan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]carbamothioate
CID 138727912

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine?
The IUPAC name of N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine (CID 168856384) is N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine is CC(C)NC[C@H]1CN(CCCN(C)C(C)C)CCO1.
What is the InChIKey of N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine?
The InChIKey is MWVCLVXLFLVDFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-13(2)16-11-15-12-18(9-10-19-15)8-6-7-17(5)14(3)4/h13-16H,6-12H2,1-5H3/t15-/m0/s1.
What are the key properties of N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine?
N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine is sourced from PubChem (CID 168856384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).