2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine

C19H38N2 — CID 103494992

IUPAC2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1N1CCC(C(C)C)CC1
InChIInChI=1S/C19H38N2/c1-4-13-20-18-9-7-5-6-8-10-19(18)21-14-11-17(12-15-21)16(2)3/h16-20H,4-15H2,1-3H3
InChIKeyAISRSHRMQPRVDD-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds5

About 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine

2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine (PubChem CID 103494992) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
PubChem CID103494992
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1N1CCC(C(C)C)CC1
InChIInChI=1S/C19H38N2/c1-4-13-20-18-9-7-5-6-8-10-19(18)21-14-11-17(12-15-21)16(2)3/h16-20H,4-15H2,1-3H3
InChIKeyAISRSHRMQPRVDD-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine (CID 103494992) is 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine is CCCNC1CCCCCCC1N1CCC(C(C)C)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine?
The InChIKey is AISRSHRMQPRVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-13-20-18-9-7-5-6-8-10-19(18)21-14-11-17(12-15-21)16(2)3/h16-20H,4-15H2,1-3H3.
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine?
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine is sourced from PubChem (CID 103494992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).