(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide

C15H30N2O — CID 79362527

IUPAC(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)7-11(9-16)8-12(18)17-13-14(3,4)15(13,5)6/h10-11,13H,7-9,16H2,1-6H3,(H,17,18)/t11-/m0/s1
InChIKeyDFFCEHRNUOGPFN-NSHDSACASA-N
MW254.42 g/mol
LogP2.55
Rot. Bonds6

About (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide

(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide (PubChem CID 79362527) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
PubChem CID79362527
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)7-11(9-16)8-12(18)17-13-14(3,4)15(13,5)6/h10-11,13H,7-9,16H2,1-6H3,(H,17,18)/t11-/m0/s1
InChIKeyDFFCEHRNUOGPFN-NSHDSACASA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
CID 79878870
(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
CID 79878962
(3S)-3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-5-methylhexanamide
CID 82937599
3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide
CID 83036657
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
(3S)-3-(aminomethyl)-N-ethylsulfonyl-5-methylhexanamide
CID 103307051
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
(3S)-3-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methylhexanamide
CID 106101380
methyl (2S)-2-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-4-methylpentanoate
CID 103954861
ethane;methyl 3-(aminomethyl)-5-methylhexanoate
CID 168947065

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide (CID 79362527) is (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide is CC(C)C[C@H](CN)CC(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide?
The InChIKey is DFFCEHRNUOGPFN-NSHDSACASA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)7-11(9-16)8-12(18)17-13-14(3,4)15(13,5)6/h10-11,13H,7-9,16H2,1-6H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide?
(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide has a molecular weight of 254.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide is sourced from PubChem (CID 79362527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).