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

C15H33N3O — CID 82948086

IUPAC4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine
SMILESCCN1CCCC(CN)(N(CCOC)C(C)C)CC1
InChIInChI=1S/C15H33N3O/c1-5-17-9-6-7-15(13-16,8-10-17)18(14(2)3)11-12-19-4/h14H,5-13,16H2,1-4H3
InChIKeyQJKSQFXMOYWXSP-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.55
Rot. Bonds7

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

4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine (PubChem CID 82948086) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine
PubChem CID82948086
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine
SMILESCCN1CCCC(CN)(N(CCOC)C(C)C)CC1
InChIInChI=1S/C15H33N3O/c1-5-17-9-6-7-15(13-16,8-10-17)18(14(2)3)11-12-19-4/h14H,5-13,16H2,1-4H3
InChIKeyQJKSQFXMOYWXSP-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine (CID 82948086) is 4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine is CCN1CCCC(CN)(N(CCOC)C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine?
The InChIKey is QJKSQFXMOYWXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-5-17-9-6-7-15(13-16,8-10-17)18(14(2)3)11-12-19-4/h14H,5-13,16H2,1-4H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine?
4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine has a molecular weight of 271.45 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine is sourced from PubChem (CID 82948086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).