1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine

C20H35N — CID 105039623

IUPAC1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(CC12CC3CC(CC(C3)C1)C2)NCCC
InChIInChI=1S/C20H35N/c1-4-7-21-19(6-5-15(2)3)14-20-11-16-8-17(12-20)10-18(9-16)13-20/h16-19,21H,2,4-14H2,1,3H3
InChIKeyRSPWOJVPAMXMKT-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.32
Rot. Bonds8

About 1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine

1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine (PubChem CID 105039623) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine
PubChem CID105039623
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(CC12CC3CC(CC(C3)C1)C2)NCCC
InChIInChI=1S/C20H35N/c1-4-7-21-19(6-5-15(2)3)14-20-11-16-8-17(12-20)10-18(9-16)13-20/h16-19,21H,2,4-14H2,1,3H3
InChIKeyRSPWOJVPAMXMKT-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-adamantyl)-N-propylhept-5-yn-2-amine
CID 105037455
1-(1-methoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine
CID 103559831
1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine
CID 105004820
1-(1-adamantyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79189871
1-(3,5-dimethyl-1-adamantyl)-N-propylpentan-2-amine
CID 114981869
5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine
CID 114475869
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine
CID 114475925
6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
CID 105182618
1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474365
1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107004692
1-(1-adamantyl)-3-ethoxy-N-ethylpropan-2-amine
CID 105008151

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine?
The IUPAC name of 1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine (CID 105039623) is 1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine?
The canonical SMILES for 1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine is C=C(C)CCC(CC12CC3CC(CC(C3)C1)C2)NCCC.
What is the InChIKey of 1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine?
The InChIKey is RSPWOJVPAMXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-7-21-19(6-5-15(2)3)14-20-11-16-8-17(12-20)10-18(9-16)13-20/h16-19,21H,2,4-14H2,1,3H3.
What are the key properties of 1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine?
1-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-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-(1-adamantyl)-5-methyl-N-propylhex-5-en-2-amine is sourced from PubChem (CID 105039623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).