4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine

C17H32N4 — CID 163584218

IUPAC4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine
SMILESCCC(CCN(C)C)N1CCN(C2=CCC(N)C=C2)CC1
InChIInChI=1S/C17H32N4/c1-4-16(9-10-19(2)3)20-11-13-21(14-12-20)17-7-5-15(18)6-8-17/h5,7-8,15-16H,4,6,9-14,18H2,1-3H3
InChIKeyGKCVRKJMHSBDGY-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.51
Rot. Bonds6

About 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine

4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine (PubChem CID 163584218) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine
PubChem CID163584218
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine
SMILESCCC(CCN(C)C)N1CCN(C2=CCC(N)C=C2)CC1
InChIInChI=1S/C17H32N4/c1-4-16(9-10-19(2)3)20-11-13-21(14-12-20)17-7-5-15(18)6-8-17/h5,7-8,15-16H,4,6,9-14,18H2,1-3H3
InChIKeyGKCVRKJMHSBDGY-UHFFFAOYSA-N
XLogP1.51
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine (CID 163584218) is 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine is CCC(CCN(C)C)N1CCN(C2=CCC(N)C=C2)CC1.
What is the InChIKey of 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine?
The InChIKey is GKCVRKJMHSBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-16(9-10-19(2)3)20-11-13-21(14-12-20)17-7-5-15(18)6-8-17/h5,7-8,15-16H,4,6,9-14,18H2,1-3H3.
What are the key properties of 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine?
4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine has a molecular weight of 292.47 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(dimethylamino)pentan-3-yl]piperazin-1-yl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163584218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).