N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine

C12H26N4O — CID 83011562

IUPACN-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2(CN)CCCOCC2)CC1
InChIInChI=1S/C12H26N4O/c1-15-5-7-16(8-6-15)14-12(11-13)3-2-9-17-10-4-12/h14H,2-11,13H2,1H3
InChIKeyVMBWIIFMERXLCT-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.36
Rot. Bonds3

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

N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine (PubChem CID 83011562) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine
PubChem CID83011562
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2(CN)CCCOCC2)CC1
InChIInChI=1S/C12H26N4O/c1-15-5-7-16(8-6-15)14-12(11-13)3-2-9-17-10-4-12/h14H,2-11,13H2,1H3
InChIKeyVMBWIIFMERXLCT-UHFFFAOYSA-N
XLogP-0.36
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
CID 83010725
4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine
CID 83011046
N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine
CID 83013577
N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine
CID 83011647
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]morpholin-4-amine
CID 83011983
[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine
CID 43608698
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine
CID 107429124
4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
CID 72942834
N-[1-(aminomethyl)-3-ethylcyclopentyl]morpholin-4-amine
CID 83013895
N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine
CID 106820532
N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]morpholin-4-amine
CID 103563113
N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine
CID 83012158

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine (CID 83011562) is N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine is CN1CCN(NC2(CN)CCCOCC2)CC1.
What is the InChIKey of N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine?
The InChIKey is VMBWIIFMERXLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-15-5-7-16(8-6-15)14-12(11-13)3-2-9-17-10-4-12/h14H,2-11,13H2,1H3.
What are the key properties of N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine?
N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine has a molecular weight of 242.37 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83011562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).