5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C17H31N — CID 79606979

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)CC1CC2CCC1C2
InChIInChI=1S/C17H31N/c1-13(2)12-18-8-4-5-14(3)9-17-11-15-6-7-16(17)10-15/h5,13,15-18H,4,6-12H2,1-3H3
InChIKeyCZSPVYVZEUIOON-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.39
Rot. Bonds7

About 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79606979) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79606979
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)CC1CC2CCC1C2
InChIInChI=1S/C17H31N/c1-13(2)12-18-8-4-5-14(3)9-17-11-15-6-7-16(17)10-15/h5,13,15-18H,4,6-12H2,1-3H3
InChIKeyCZSPVYVZEUIOON-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79606991
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405492
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
(Z)-4-methyl-5-(5-methyloxolan-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 103132390
4-methyl-N-(2-methylpropyl)-5-propan-2-yloxypent-3-en-1-amine
CID 79607218
N-(2-methylpropyl)-4-(oxolan-3-yl)pent-3-en-1-amine
CID 79606970
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 79562303
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-methylpropyl)thiourea
CID 115602002
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine
CID 79607908
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
CID 105005129
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 79606979) is 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is CC(=CCCNCC(C)C)CC1CC2CCC1C2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is CZSPVYVZEUIOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-13(2)12-18-8-4-5-14(3)9-17-11-15-6-7-16(17)10-15/h5,13,15-18H,4,6-12H2,1-3H3.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79606979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).