1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine

C16H29N — CID 104987608

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
SMILESC=CCCC(CC1CC2CCC1C2)NCCC
InChIInChI=1S/C16H29N/c1-3-5-6-16(17-9-4-2)12-15-11-13-7-8-14(15)10-13/h3,13-17H,1,4-12H2,2H3
InChIKeyXWJBRGDPMWSIPH-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.15
Rot. Bonds8

About 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine (PubChem CID 104987608) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
PubChem CID104987608
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
SMILESC=CCCC(CC1CC2CCC1C2)NCCC
InChIInChI=1S/C16H29N/c1-3-5-6-16(17-9-4-2)12-15-11-13-7-8-14(15)10-13/h3,13-17H,1,4-12H2,2H3
InChIKeyXWJBRGDPMWSIPH-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
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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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine
CID 115847377
1-cyclopentyl-N-propylhex-5-en-2-amine
CID 104987521
1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine
CID 104987755
1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105167824
1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine
CID 105004806
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291286
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine (CID 104987608) is 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine is C=CCCC(CC1CC2CCC1C2)NCCC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine?
The InChIKey is XWJBRGDPMWSIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-3-5-6-16(17-9-4-2)12-15-11-13-7-8-14(15)10-13/h3,13-17H,1,4-12H2,2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine is sourced from PubChem (CID 104987608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).