N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine

C14H29N3 — CID 70301929

IUPACN-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine
SMILESC=C(N1CCNCC1)C(CCC)(CCC)NC
InChIInChI=1S/C14H29N3/c1-5-7-14(15-4,8-6-2)13(3)17-11-9-16-10-12-17/h15-16H,3,5-12H2,1-2,4H3
InChIKeyOXBDLJCZKFLQKU-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.96
Rot. Bonds7

About N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine

N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine (PubChem CID 70301929) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine.

Molecular Properties

Compound NameN-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine
PubChem CID70301929
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine
SMILESC=C(N1CCNCC1)C(CCC)(CCC)NC
InChIInChI=1S/C14H29N3/c1-5-7-14(15-4,8-6-2)13(3)17-11-9-16-10-12-17/h15-16H,3,5-12H2,1-2,4H3
InChIKeyOXBDLJCZKFLQKU-UHFFFAOYSA-N
XLogP1.96
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine?
The IUPAC name of N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine (CID 70301929) is N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine.
What is the SMILES notation for N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine?
The canonical SMILES for N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine is C=C(N1CCNCC1)C(CCC)(CCC)NC.
What is the InChIKey of N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine?
The InChIKey is OXBDLJCZKFLQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-7-14(15-4,8-6-2)13(3)17-11-9-16-10-12-17/h15-16H,3,5-12H2,1-2,4H3.
What are the key properties of N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine?
N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine has a molecular weight of 239.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-piperazin-1-ylethenyl)heptan-4-amine is sourced from PubChem (CID 70301929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).