7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide

C18H36N2O — CID 43698547

IUPAC7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
SMILESCCC(C)(C)C1CCC(NC(=O)CCCCCCN)CC1
InChIInChI=1S/C18H36N2O/c1-4-18(2,3)15-10-12-16(13-11-15)20-17(21)9-7-5-6-8-14-19/h15-16H,4-14,19H2,1-3H3,(H,20,21)
InChIKeyWWNWASSYLPEZJM-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.01
Rot. Bonds9

About 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide

7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide (PubChem CID 43698547) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
PubChem CID43698547
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
SMILESCCC(C)(C)C1CCC(NC(=O)CCCCCCN)CC1
InChIInChI=1S/C18H36N2O/c1-4-18(2,3)15-10-12-16(13-11-15)20-17(21)9-7-5-6-8-14-19/h15-16H,4-14,19H2,1-3H3,(H,20,21)
InChIKeyWWNWASSYLPEZJM-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
5-amino-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pentanamide
CID 104683788
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
N,N'-dicyclopropyldecanediamide
CID 4668836
6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
6-amino-N-(1-propylpiperidin-4-yl)hexanamide
CID 61276354
3-(2,5-dioxoimidazolidin-4-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 51073460
1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 115447469
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide?
The IUPAC name of 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide (CID 43698547) is 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide is CCC(C)(C)C1CCC(NC(=O)CCCCCCN)CC1.
What is the InChIKey of 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide?
The InChIKey is WWNWASSYLPEZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-18(2,3)15-10-12-16(13-11-15)20-17(21)9-7-5-6-8-14-19/h15-16H,4-14,19H2,1-3H3,(H,20,21).
What are the key properties of 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide?
7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide has a molecular weight of 296.50 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide is sourced from PubChem (CID 43698547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).