1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine

C20H37N — CID 63420136

IUPAC1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H37N/c1-5-8-21-18(6-7-19(2,3)4)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-18,21H,5-14H2,1-4H3
InChIKeyGBDCTINIARBKKC-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.40
Rot. Bonds6

About 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine

1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 63420136) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID63420136
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H37N/c1-5-8-21-18(6-7-19(2,3)4)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-18,21H,5-14H2,1-4H3
InChIKeyGBDCTINIARBKKC-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine (CID 63420136) is 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is GBDCTINIARBKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-5-8-21-18(6-7-19(2,3)4)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-18,21H,5-14H2,1-4H3.
What are the key properties of 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 291.52 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 63420136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).