(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide

C14H29N3O — CID 106026147

IUPAC(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NCC1CCCN1C
InChIInChI=1S/C14H29N3O/c1-11(2)7-12(9-15)8-14(18)16-10-13-5-4-6-17(13)3/h11-13H,4-10,15H2,1-3H3,(H,16,18)/t12-,13?/m0/s1
InChIKeyXFCOOBCHBHNGKF-UEWDXFNNSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds7

About (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide

(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide (PubChem CID 106026147) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide
PubChem CID106026147
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NCC1CCCN1C
InChIInChI=1S/C14H29N3O/c1-11(2)7-12(9-15)8-14(18)16-10-13-5-4-6-17(13)3/h11-13H,4-10,15H2,1-3H3,(H,16,18)/t12-,13?/m0/s1
InChIKeyXFCOOBCHBHNGKF-UEWDXFNNSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
CID 106135609
3-(4-aminophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106026170
4-[[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525645
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 106024201
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide
CID 83020793
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106019327
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
CID 104873493
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide (CID 106026147) is (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide is CC(C)C[C@H](CN)CC(=O)NCC1CCCN1C.
What is the InChIKey of (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide?
The InChIKey is XFCOOBCHBHNGKF-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)7-12(9-15)8-14(18)16-10-13-5-4-6-17(13)3/h11-13H,4-10,15H2,1-3H3,(H,16,18)/t12-,13?/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide?
(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide is sourced from PubChem (CID 106026147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).