N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C16H36N4 — CID 65074890

IUPACN'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)C1(CN)CCCN(C)CC1
InChIInChI=1S/C16H36N4/c1-15(2)13-20(12-11-18(3)4)16(14-17)7-6-9-19(5)10-8-16/h15H,6-14,17H2,1-5H3
InChIKeySTULLEKDXYHJAT-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.32
Rot. Bonds7

About N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65074890) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65074890
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC NameN'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)C1(CN)CCCN(C)CC1
InChIInChI=1S/C16H36N4/c1-15(2)13-20(12-11-18(3)4)16(14-17)7-6-9-19(5)10-8-16/h15H,6-14,17H2,1-5H3
InChIKeySTULLEKDXYHJAT-UHFFFAOYSA-N
XLogP1.32
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine
CID 79484107
N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65088324
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
CID 65074989
4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine
CID 65078077
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188053
4-(aminomethyl)-1-methyl-N-pentyl-N-propan-2-ylazepan-4-amine
CID 65075464
4-(aminomethyl)-N-butan-2-yl-N-butyl-1-methylazepan-4-amine
CID 65075573
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine
CID 65075349
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43271983
4-(aminomethyl)-N,N-bis(2-methylpropyl)oxepan-4-amine
CID 65079214

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 65074890) is N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)C1(CN)CCCN(C)CC1.
What is the InChIKey of N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is STULLEKDXYHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-15(2)13-20(12-11-18(3)4)16(14-17)7-6-9-19(5)10-8-16/h15H,6-14,17H2,1-5H3.
What are the key properties of N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65074890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).