1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine

C16H29N — CID 105004806

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N/c1-4-7-17-16(8-12(2)3)11-15-10-13-5-6-14(15)9-13/h8,13-17H,4-7,9-11H2,1-3H3
InChIKeyUOFLRGHAIPOJJX-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.15
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine (PubChem CID 105004806) 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)-4-methyl-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine
PubChem CID105004806
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N/c1-4-7-17-16(8-12(2)3)11-15-10-13-5-6-14(15)9-13/h8,13-17H,4-7,9-11H2,1-3H3
InChIKeyUOFLRGHAIPOJJX-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
CID 104987608
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine
CID 105010796
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 105012922
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43496619
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759433
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 79562074
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 55197409
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 115807952
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-amine
CID 79189738

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine (CID 105004806) is 1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine?
The InChIKey is UOFLRGHAIPOJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-4-7-17-16(8-12(2)3)11-15-10-13-5-6-14(15)9-13/h8,13-17H,4-7,9-11H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.15, 6 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)-4-methyl-N-propylpent-3-en-2-amine is sourced from PubChem (CID 105004806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).