N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide

C16H32N2O — CID 103970224

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C16H32N2O/c1-3-5-9-14(4-2)15(19)18-13-16(12-17)10-7-6-8-11-16/h14H,3-13,17H2,1-2H3,(H,18,19)
InChIKeyQVLXNXVHWBGVLM-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.23
Rot. Bonds8

About N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide (PubChem CID 103970224) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide
PubChem CID103970224
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C16H32N2O/c1-3-5-9-14(4-2)15(19)18-13-16(12-17)10-7-6-8-11-16/h14H,3-13,17H2,1-2H3,(H,18,19)
InChIKeyQVLXNXVHWBGVLM-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide
CID 115456860
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103969559
N-[(1-ethylcyclohexyl)methyl]-2-propylpentanamide
CID 118545273
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
2-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]hexanamide
CID 65123686
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
2-ethyl-N-pentylhexanamide
CID 5123867
2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid
CID 82984628
2-[[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]methyl]butanoic acid
CID 104678326
[1-(2-ethylhexyl)cyclohexyl]methanamine
CID 63522503
2-amino-N-[(1-methylcyclohexyl)methyl]hexanamide
CID 103832772

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide (CID 103970224) is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NCC1(CN)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide?
The InChIKey is QVLXNXVHWBGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-9-14(4-2)15(19)18-13-16(12-17)10-7-6-8-11-16/h14H,3-13,17H2,1-2H3,(H,18,19).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide has a molecular weight of 268.44 g/mol, XLogP of 3.23, 8 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]-2-ethylhexanamide is sourced from PubChem (CID 103970224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).