N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine

C17H35N — CID 43223218

IUPACN-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCCCCCCCNC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-12-18-17-13-15(4)10-11-16(17)14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyVFEYHGZYCCYXPN-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds8

About N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43223218) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID43223218
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCCCCCCCNC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-12-18-17-13-15(4)10-11-16(17)14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyVFEYHGZYCCYXPN-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 114158519
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 113326984
5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 113261734
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 61071274
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040
N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63944923

Frequently Asked Questions

What is the IUPAC name of N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 43223218) is N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine is CCCCCCCNC1CC(C)CCC1C(C)C.
What is the InChIKey of N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is VFEYHGZYCCYXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-6-7-8-9-12-18-17-13-15(4)10-11-16(17)14(2)3/h14-18H,5-13H2,1-4H3.
What are the key properties of N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43223218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).