4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine

C13H29N5 — CID 83011046

IUPAC4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine
SMILESCN1CCN(NC2(CN)CCCN(C)CC2)CC1
InChIInChI=1S/C13H29N5/c1-16-6-3-4-13(12-14,5-7-16)15-18-10-8-17(2)9-11-18/h15H,3-12,14H2,1-2H3
InChIKeyDZGBCZAEGZKCEQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP-0.45
Rot. Bonds3

About 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine

4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine (PubChem CID 83011046) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine
PubChem CID83011046
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine
SMILESCN1CCN(NC2(CN)CCCN(C)CC2)CC1
InChIInChI=1S/C13H29N5/c1-16-6-3-4-13(12-14,5-7-16)15-18-10-8-17(2)9-11-18/h15H,3-12,14H2,1-2H3
InChIKeyDZGBCZAEGZKCEQ-UHFFFAOYSA-N
XLogP-0.45
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
CID 83010725
N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine
CID 83011562
4-(aminomethyl)-N-but-3-ynyl-1-methylazepan-4-amine
CID 116641261
N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine
CID 83011647
4-(aminomethyl)-1-methyl-4-(sulfamoylamino)piperidine
CID 28940572
[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
CID 83011025
N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine
CID 83011946
N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine
CID 83013577
4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid
CID 71756459
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide
CID 61065630
4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine
CID 83012034

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine?
The IUPAC name of 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine (CID 83011046) is 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine is CN1CCN(NC2(CN)CCCN(C)CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine?
The InChIKey is DZGBCZAEGZKCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-16-6-3-4-13(12-14,5-7-16)15-18-10-8-17(2)9-11-18/h15H,3-12,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine?
4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine has a molecular weight of 255.41 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine is sourced from PubChem (CID 83011046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).