N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C17H29N — CID 43223153

IUPACN-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCC1CC=CCC1)C2
InChIInChI=1S/C17H29N/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-5,13-15,18H,6-12H2,1-3H3
InChIKeyIJWGHCGHGMMCRT-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.15
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 43223153) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID43223153
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCC1CC=CCC1)C2
InChIInChI=1S/C17H29N/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-5,13-15,18H,6-12H2,1-3H3
InChIKeyIJWGHCGHGMMCRT-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 43223153) is N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCC1CC=CCC1)C2.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is IJWGHCGHGMMCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-5,13-15,18H,6-12H2,1-3H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43223153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).