N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine

C29H60N6 — CID 159997450

IUPACN-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine
SMILESCN1CCN(CCN(C)C2CCCCCC2)CC1.CN1CCN(CCNC2CCCCCC2)CC1
InChIInChI=1S/C15H31N3.C14H29N3/c1-16-9-12-18(13-10-16)14-11-17(2)15-7-5-3-4-6-8-15;1-16-10-12-17(13-11-16)9-8-15-14-6-4-2-3-5-7-14/h15H,3-14H2,1-2H3;14-15H,2-13H2,1H3
InChIKeyOHSMKMNPQPCFMU-UHFFFAOYSA-N
MW492.84 g/mol
LogP3.43
Rot. Bonds8

About N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine

N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine (PubChem CID 159997450) has the molecular formula C29H60N6 and a molecular weight of 492.84 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine
PubChem CID159997450
Molecular FormulaC29H60N6
Molecular Weight492.84 g/mol
Exact Mass492.49
IUPAC NameN-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine
SMILESCN1CCN(CCN(C)C2CCCCCC2)CC1.CN1CCN(CCNC2CCCCCC2)CC1
InChIInChI=1S/C15H31N3.C14H29N3/c1-16-9-12-18(13-10-16)14-11-17(2)15-7-5-3-4-6-8-15;1-16-10-12-17(13-11-16)9-8-15-14-6-4-2-3-5-7-14/h15H,3-14H2,1-2H3;14-15H,2-13H2,1H3
InChIKeyOHSMKMNPQPCFMU-UHFFFAOYSA-N
XLogP3.43
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208971
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine
CID 79618510
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine?
The IUPAC name of N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine (CID 159997450) is N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine is CN1CCN(CCN(C)C2CCCCCC2)CC1.CN1CCN(CCNC2CCCCCC2)CC1.
What is the InChIKey of N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine?
The InChIKey is OHSMKMNPQPCFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3.C14H29N3/c1-16-9-12-18(13-10-16)14-11-17(2)15-7-5-3-4-6-8-15;1-16-10-12-17(13-11-16)9-8-15-14-6-4-2-3-5-7-14/h15H,3-14H2,1-2H3;14-15H,2-13H2,1H3.
What are the key properties of N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine?
N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine has a molecular weight of 492.84 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 159997450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).