(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide

C14H29N3O2 — CID 106915323

IUPAC(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide
SMILESCNC(=O)C(C)CN(C)C(=O)C[C@@H](CN)CC(C)C
InChIInChI=1S/C14H29N3O2/c1-10(2)6-12(8-15)7-13(18)17(5)9-11(3)14(19)16-4/h10-12H,6-9,15H2,1-5H3,(H,16,19)/t11?,12-/m0/s1
InChIKeyRZLGQQNIHYICRC-KIYNQFGBSA-N
MW271.40 g/mol
LogP0.84
Rot. Bonds8

About (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide

(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide (PubChem CID 106915323) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide
PubChem CID106915323
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide
SMILESCNC(=O)C(C)CN(C)C(=O)C[C@@H](CN)CC(C)C
InChIInChI=1S/C14H29N3O2/c1-10(2)6-12(8-15)7-13(18)17(5)9-11(3)14(19)16-4/h10-12H,6-9,15H2,1-5H3,(H,16,19)/t11?,12-/m0/s1
InChIKeyRZLGQQNIHYICRC-KIYNQFGBSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915366
(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 119818699
N,2-dimethyl-3-[methyl-[2-(methylamino)acetyl]amino]propanamide
CID 103812841
7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
CID 103812823
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
CID 25143769
4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 103812844
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915392
3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 103722241
3-amino-N,2,2-trimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]propanamide
CID 103812840
N,2-dimethyl-3-[methyl-[2-methyl-2-(methylamino)propanoyl]amino]propanamide
CID 106915340
3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide
CID 79469974
(3S)-3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-5-methylhexanamide
CID 82937599

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide (CID 106915323) is (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide is CNC(=O)C(C)CN(C)C(=O)C[C@@H](CN)CC(C)C.
What is the InChIKey of (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide?
The InChIKey is RZLGQQNIHYICRC-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-10(2)6-12(8-15)7-13(18)17(5)9-11(3)14(19)16-4/h10-12H,6-9,15H2,1-5H3,(H,16,19)/t11?,12-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide?
(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide has a molecular weight of 271.40 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide is sourced from PubChem (CID 106915323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).