1-(3-cyclopentyl-1-adamantyl)propan-1-amine

C18H31N — CID 159983107

IUPAC1-(3-cyclopentyl-1-adamantyl)propan-1-amine
SMILESCCC(N)C12CC3CC(C1)CC(C1CCCC1)(C3)C2
InChIInChI=1S/C18H31N/c1-2-16(19)18-10-13-7-14(11-18)9-17(8-13,12-18)15-5-3-4-6-15/h13-16H,2-12,19H2,1H3
InChIKeyBPCSKHSJRSFACJ-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.50
Rot. Bonds3

About 1-(3-cyclopentyl-1-adamantyl)propan-1-amine

1-(3-cyclopentyl-1-adamantyl)propan-1-amine (PubChem CID 159983107) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1-adamantyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopentyl-1-adamantyl)propan-1-amine
PubChem CID159983107
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(3-cyclopentyl-1-adamantyl)propan-1-amine
SMILESCCC(N)C12CC3CC(C1)CC(C1CCCC1)(C3)C2
InChIInChI=1S/C18H31N/c1-2-16(19)18-10-13-7-14(11-18)9-17(8-13,12-18)15-5-3-4-6-15/h13-16H,2-12,19H2,1H3
InChIKeyBPCSKHSJRSFACJ-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
CID 105028489
1-(3-methyl-1-adamantyl)butan-1-amine
CID 115778291
3-methyl-1-(3-methyl-1-adamantyl)hexan-1-amine
CID 115845746
1-(1-adamantyl)-2-cyclobutylethanamine
CID 65457441
1-(1-adamantyl)-2-cyclohexylsulfanylethanamine
CID 64633830
(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 166445853
(5S,7R)-3-pentan-3-yladamantan-1-ol
CID 10775431
1-(1-adamantyl)-2-cyclopropylethanamine
CID 64904037
(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine
CID 104992588
1-cyclopentyl-2,2-dimethylcyclopropan-1-amine
CID 83682013
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-(1-chloropropyl)adamantane
CID 89114762

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1-adamantyl)propan-1-amine?
The IUPAC name of 1-(3-cyclopentyl-1-adamantyl)propan-1-amine (CID 159983107) is 1-(3-cyclopentyl-1-adamantyl)propan-1-amine.
What is the SMILES notation for 1-(3-cyclopentyl-1-adamantyl)propan-1-amine?
The canonical SMILES for 1-(3-cyclopentyl-1-adamantyl)propan-1-amine is CCC(N)C12CC3CC(C1)CC(C1CCCC1)(C3)C2.
What is the InChIKey of 1-(3-cyclopentyl-1-adamantyl)propan-1-amine?
The InChIKey is BPCSKHSJRSFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-2-16(19)18-10-13-7-14(11-18)9-17(8-13,12-18)15-5-3-4-6-15/h13-16H,2-12,19H2,1H3.
What are the key properties of 1-(3-cyclopentyl-1-adamantyl)propan-1-amine?
1-(3-cyclopentyl-1-adamantyl)propan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1-adamantyl)propan-1-amine is sourced from PubChem (CID 159983107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).