4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine

C15H30N2O2 — CID 65079502

IUPAC4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCCOCC1
InChIInChI=1S/C15H30N2O2/c1-13(14-4-5-14)17(8-11-18-2)15(12-16)6-3-9-19-10-7-15/h13-14H,3-12,16H2,1-2H3
InChIKeySQDMAFFQNYOUMJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.63
Rot. Bonds7

About 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine

4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine (PubChem CID 65079502) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine
PubChem CID65079502
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCCOCC1
InChIInChI=1S/C15H30N2O2/c1-13(14-4-5-14)17(8-11-18-2)15(12-16)6-3-9-19-10-7-15/h13-14H,3-12,16H2,1-2H3
InChIKeySQDMAFFQNYOUMJ-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-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

3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine
CID 55203276
1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
CID 65088127
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449048
3-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-yloxolan-3-amine
CID 82948464
3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
CID 79950108
4-(aminomethyl)-N-propan-2-yl-N-propyloxepan-4-amine
CID 65079379
4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]oxan-4-amine
CID 113280948
1-(aminomethyl)-N-(2-methoxyethyl)-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 107449206
2-N-[4-(aminomethyl)oxepan-4-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188230
4-(aminomethyl)-N,N-bis(2-methylpropyl)oxepan-4-amine
CID 65079214
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine
CID 65088706
8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine
CID 114818099

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine (CID 65079502) is 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine is COCCN(C(C)C1CC1)C1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine?
The InChIKey is SQDMAFFQNYOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(14-4-5-14)17(8-11-18-2)15(12-16)6-3-9-19-10-7-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine?
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine has a molecular weight of 270.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine is sourced from PubChem (CID 65079502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).