N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine

C13H28N4 — CID 83010725

IUPACN-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2(CN)CCCCCC2)CC1
InChIInChI=1S/C13H28N4/c1-16-8-10-17(11-9-16)15-13(12-14)6-4-2-3-5-7-13/h15H,2-12,14H2,1H3
InChIKeyNDFRPSOLYRTCBZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.79
Rot. Bonds3

About N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine

N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine (PubChem CID 83010725) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
PubChem CID83010725
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2(CN)CCCCCC2)CC1
InChIInChI=1S/C13H28N4/c1-16-8-10-17(11-9-16)15-13(12-14)6-4-2-3-5-7-13/h15H,2-12,14H2,1H3
InChIKeyNDFRPSOLYRTCBZ-UHFFFAOYSA-N
XLogP0.79
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine (CID 83010725) is N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine is CN1CCN(NC2(CN)CCCCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine?
The InChIKey is NDFRPSOLYRTCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-16-8-10-17(11-9-16)15-13(12-14)6-4-2-3-5-7-13/h15H,2-12,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine?
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine has a molecular weight of 240.39 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83010725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).