N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide

C17H34N2O — CID 103970115

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCC1(CN)CCCCC1)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-14(11-16(2,3)4)10-15(20)19-13-17(12-18)8-6-5-7-9-17/h14H,5-13,18H2,1-4H3,(H,19,20)
InChIKeyQZVOHZUGPNKMBU-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.47
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide (PubChem CID 103970115) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide
PubChem CID103970115
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCC1(CN)CCCCC1)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-14(11-16(2,3)4)10-15(20)19-13-17(12-18)8-6-5-7-9-17/h14H,5-13,18H2,1-4H3,(H,19,20)
InChIKeyQZVOHZUGPNKMBU-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide
CID 103022557
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877037
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
3,5,5-trimethylhexanehydrazide
CID 142619235
N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide
CID 60917827
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495
N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide
CID 66006223
N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
N-(azetidin-3-yl)-3,5,5-trimethylhexanamide
CID 66186755
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-propan-2-yloxyacetamide
CID 112604289
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide (CID 103970115) is N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide is CC(CC(=O)NCC1(CN)CCCCC1)CC(C)(C)C.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide?
The InChIKey is QZVOHZUGPNKMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(11-16(2,3)4)10-15(20)19-13-17(12-18)8-6-5-7-9-17/h14H,5-13,18H2,1-4H3,(H,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide has a molecular weight of 282.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 103970115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).