4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine

C16H33N3O — CID 82733977

IUPAC4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine
SMILESCC1OCCC1N(C)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-13(2)19-9-5-7-16(12-17,8-10-19)18(4)15-6-11-20-14(15)3/h13-15H,5-12,17H2,1-4H3
InChIKeyDCIQYOKKJYWFEC-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.69
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine

4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine (PubChem CID 82733977) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine
PubChem CID82733977
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine
SMILESCC1OCCC1N(C)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-13(2)19-9-5-7-16(12-17,8-10-19)18(4)15-6-11-20-14(15)3/h13-15H,5-12,17H2,1-4H3
InChIKeyDCIQYOKKJYWFEC-UHFFFAOYSA-N
XLogP1.69
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine 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

N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
CID 82735395
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
CID 103563096
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65075980
4-(aminomethyl)-N-methyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078410
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
CID 65078106
4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65078658
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 62547640
4-(aminomethyl)-N-butyl-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078409
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
CID 24710650
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078125

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine (CID 82733977) is 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine is CC1OCCC1N(C)C1(CN)CCCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine?
The InChIKey is DCIQYOKKJYWFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)19-9-5-7-16(12-17,8-10-19)18(4)15-6-11-20-14(15)3/h13-15H,5-12,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine?
4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine has a molecular weight of 283.46 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 82733977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).