N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride

C14H30ClN3O — CID 120904436

IUPACN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride
SMILESCC(CN1CCOCC1)N(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-13(10-17-6-8-18-9-7-17)16(3)12-14(2)4-5-15-11-14;/h13,15H,4-12H2,1-3H3;1H
InChIKeyXAHKKXXEKFCZHL-UHFFFAOYSA-N
MW291.87 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride

N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride (PubChem CID 120904436) has the molecular formula C14H30ClN3O and a molecular weight of 291.87 g/mol. Its IUPAC name is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride
PubChem CID120904436
Molecular FormulaC14H30ClN3O
Molecular Weight291.87 g/mol
Exact Mass291.21
IUPAC NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride
SMILESCC(CN1CCOCC1)N(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-13(10-17-6-8-18-9-7-17)16(3)12-14(2)4-5-15-11-14;/h13,15H,4-12H2,1-3H3;1H
InChIKeyXAHKKXXEKFCZHL-UHFFFAOYSA-N
XLogP1.06
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120900789
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride
CID 120897780
3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63139450
1-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 63143290
2-[(3-methylpyrrolidin-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decane;hydrochloride
CID 120904661
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120899942
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine
CID 120897781
4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
CID 120905741
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
propan-2-yl 2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 120901358
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
CID 63129996

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride (CID 120904436) is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride is CC(CN1CCOCC1)N(C)CC1(C)CCNC1.Cl.
What is the InChIKey of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride?
The InChIKey is XAHKKXXEKFCZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.ClH/c1-13(10-17-6-8-18-9-7-17)16(3)12-14(2)4-5-15-11-14;/h13,15H,4-12H2,1-3H3;1H.
What are the key properties of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride?
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120904436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).