1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine

C20H35N — CID 104986903

IUPAC1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C20H35N/c1-4-6-7-8-18(21-9-5-2)20-13-16-10-17(14-20)12-19(3,11-16)15-20/h4,16-18,21H,1,5-15H2,2-3H3
InChIKeyBUHXMNXLZDIGCV-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.32
Rot. Bonds8

About 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine

1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine (PubChem CID 104986903) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine
PubChem CID104986903
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C20H35N/c1-4-6-7-8-18(21-9-5-2)20-13-16-10-17(14-20)12-19(3,11-16)15-20/h4,16-18,21H,1,5-15H2,2-3H3
InChIKeyBUHXMNXLZDIGCV-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.32
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

N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine
CID 104987277
1-(3-methyl-1-adamantyl)oct-7-en-1-ol
CID 107012329
N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine
CID 105028573
1-(3,5-dimethyl-1-adamantyl)-N-propylpent-4-yn-1-amine
CID 79996178
1-(1-adamantyl)-N-propylpropan-1-amine
CID 63420045
N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
CID 105028422
1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63420136
1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
CID 116764224
1-(3-methyl-1-adamantyl)prop-2-enylhydrazine
CID 105318044
1-(3-methyl-1-adamantyl)hex-5-en-1-one
CID 114974744
1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine
CID 63420224
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine (CID 104986903) is 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine?
The InChIKey is BUHXMNXLZDIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-6-7-8-18(21-9-5-2)20-13-16-10-17(14-20)12-19(3,11-16)15-20/h4,16-18,21H,1,5-15H2,2-3H3.
What are the key properties of 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine?
1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 104986903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).