2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine

C19H35N — CID 79299064

IUPAC2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H35N/c1-5-6-20-18(13(2)3)14(4)19-10-15-7-16(11-19)9-17(8-15)12-19/h13-18,20H,5-12H2,1-4H3
InChIKeyZBYHMLXUBXZZPO-UHFFFAOYSA-N
MW277.50 g/mol
LogP4.86
Rot. Bonds6

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

2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine (PubChem CID 79299064) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine
PubChem CID79299064
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H35N/c1-5-6-20-18(13(2)3)14(4)19-10-15-7-16(11-19)9-17(8-15)12-19/h13-18,20H,5-12H2,1-4H3
InChIKeyZBYHMLXUBXZZPO-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-N-propylpropan-1-amine
CID 63420045
1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine
CID 63420224
1-(1-adamantyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79189871
1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63420136
1-(3-bromohexan-2-yl)adamantane
CID 83051676
2-[2-(1-adamantyl)-2-(propylamino)ethyl]sulfanylethanol
CID 64614192
N-[1-(1-adamantyl)ethyl]-3-propoxypropan-1-amine
CID 82941025
1-[(1S)-1-(1-adamantyl)ethyl]-3-butylurea
CID 7068856
N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine
CID 63469177
1-(1-adamantyl)-N,2-dimethylpentan-1-amine
CID 107893392
N-[1-(1-adamantyl)ethyl]hexan-3-amine
CID 55193331
N'-[1-(1-adamantyl)ethyl]-N-butyloxamide
CID 108505075

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine?
The IUPAC name of 2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine (CID 79299064) is 2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine?
The canonical SMILES for 2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine is CCCNC(C(C)C)C(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine?
The InChIKey is ZBYHMLXUBXZZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-5-6-20-18(13(2)3)14(4)19-10-15-7-16(11-19)9-17(8-15)12-19/h13-18,20H,5-12H2,1-4H3.
What are the key properties of 2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine?
2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine has a molecular weight of 277.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 79299064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).