1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine

C18H39N3 — CID 79664602

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)C1CN(C)CCN1C
InChIInChI=1S/C18H39N3/c1-6-9-10-16(8-3)14-17(19-11-7-2)18-15-20(4)12-13-21(18)5/h16-19H,6-15H2,1-5H3
InChIKeyFUPKMGHKGJGXIT-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.21
Rot. Bonds10

About 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine

1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine (PubChem CID 79664602) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine
PubChem CID79664602
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)C1CN(C)CCN1C
InChIInChI=1S/C18H39N3/c1-6-9-10-16(8-3)14-17(19-11-7-2)18-15-20(4)12-13-21(18)5/h16-19H,6-15H2,1-5H3
InChIKeyFUPKMGHKGJGXIT-UHFFFAOYSA-N
XLogP3.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine (CID 79664602) is 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine is CCCCC(CC)CC(NCCC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine?
The InChIKey is FUPKMGHKGJGXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-6-9-10-16(8-3)14-17(19-11-7-2)18-15-20(4)12-13-21(18)5/h16-19H,6-15H2,1-5H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine is sourced from PubChem (CID 79664602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).