1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine

C14H29N3 — CID 63169848

IUPAC1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2CCC(N)CC2)C1
InChIInChI=1S/C14H29N3/c1-3-16(4-2)14-9-10-17(11-14)13-7-5-12(15)6-8-13/h12-14H,3-11,15H2,1-2H3
InChIKeyUTPNSVWFHJKBNO-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.67
Rot. Bonds4

About 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine

1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 63169848) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID63169848
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2CCC(N)CC2)C1
InChIInChI=1S/C14H29N3/c1-3-16(4-2)14-9-10-17(11-14)13-7-5-12(15)6-8-13/h12-14H,3-11,15H2,1-2H3
InChIKeyUTPNSVWFHJKBNO-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine (CID 63169848) is 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(C2CCC(N)CC2)C1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is UTPNSVWFHJKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-16(4-2)14-9-10-17(11-14)13-7-5-12(15)6-8-13/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine?
1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63169848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).