4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine

C17H37N3O — CID 65078077

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine
SMILESCOCCN(CC(C)C)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C17H37N3O/c1-15(2)13-20(11-12-21-5)17(14-18)7-6-9-19(10-8-17)16(3)4/h15-16H,6-14,18H2,1-5H3
InChIKeyXEEZIWQOUOZEOD-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.18
Rot. Bonds8

About 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine

4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine (PubChem CID 65078077) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine
PubChem CID65078077
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine
SMILESCOCCN(CC(C)C)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C17H37N3O/c1-15(2)13-20(11-12-21-5)17(14-18)7-6-9-19(10-8-17)16(3)4/h15-16H,6-14,18H2,1-5H3
InChIKeyXEEZIWQOUOZEOD-UHFFFAOYSA-N
XLogP2.18
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine (CID 65078077) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine is COCCN(CC(C)C)C1(CN)CCCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is XEEZIWQOUOZEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-15(2)13-20(11-12-21-5)17(14-18)7-6-9-19(10-8-17)16(3)4/h15-16H,6-14,18H2,1-5H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine?
4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 299.50 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65078077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).