N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine

C15H33N3 — CID 114086705

IUPACN-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine
SMILESCCNC(CC)C(C)N1CCCN(C)CC1CC
InChIInChI=1S/C15H33N3/c1-6-14-12-17(5)10-9-11-18(14)13(4)15(7-2)16-8-3/h13-16H,6-12H2,1-5H3
InChIKeyXISZKBYDJGQTGE-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds6

About N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine

N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine (PubChem CID 114086705) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine
PubChem CID114086705
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine
SMILESCCNC(CC)C(C)N1CCCN(C)CC1CC
InChIInChI=1S/C15H33N3/c1-6-14-12-17(5)10-9-11-18(14)13(4)15(7-2)16-8-3/h13-16H,6-12H2,1-5H3
InChIKeyXISZKBYDJGQTGE-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine?
The IUPAC name of N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine (CID 114086705) is N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine is CCNC(CC)C(C)N1CCCN(C)CC1CC.
What is the InChIKey of N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine?
The InChIKey is XISZKBYDJGQTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-14-12-17(5)10-9-11-18(14)13(4)15(7-2)16-8-3/h13-16H,6-12H2,1-5H3.
What are the key properties of N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine?
N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine is sourced from PubChem (CID 114086705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).