1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine

C19H33N — CID 105004820

IUPAC1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N/c1-4-5-20-18(6-14(2)3)13-19-10-15-7-16(11-19)9-17(8-15)12-19/h6,15-18,20H,4-5,7-13H2,1-3H3
InChIKeyFWXWTJQAWMOJCE-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.93
Rot. Bonds6

About 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine

1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine (PubChem CID 105004820) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine
PubChem CID105004820
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N/c1-4-5-20-18(6-14(2)3)13-19-10-15-7-16(11-19)9-17(8-15)12-19/h6,15-18,20H,4-5,7-13H2,1-3H3
InChIKeyFWXWTJQAWMOJCE-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine?
The IUPAC name of 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine (CID 105004820) is 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine.
What is the SMILES notation for 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine?
The canonical SMILES for 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine?
The InChIKey is FWXWTJQAWMOJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-4-5-20-18(6-14(2)3)13-19-10-15-7-16(11-19)9-17(8-15)12-19/h6,15-18,20H,4-5,7-13H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine?
1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine has a molecular weight of 275.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4-methyl-N-propylpent-3-en-2-amine is sourced from PubChem (CID 105004820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).