1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine

C15H31N3 — CID 114086713

IUPAC1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCCNC(CN1CCCN(C)CC1CC)C1CC1
InChIInChI=1S/C15H31N3/c1-4-14-11-17(3)9-6-10-18(14)12-15(16-5-2)13-7-8-13/h13-16H,4-12H2,1-3H3
InChIKeyZUNPZGWHUGFIBC-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine

1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine (PubChem CID 114086713) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine
PubChem CID114086713
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCCNC(CN1CCCN(C)CC1CC)C1CC1
InChIInChI=1S/C15H31N3/c1-4-14-11-17(3)9-6-10-18(14)12-15(16-5-2)13-7-8-13/h13-16H,4-12H2,1-3H3
InChIKeyZUNPZGWHUGFIBC-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide
CID 114087505
1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 104746276
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine
CID 63912128
3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-2-(propylamino)propanenitrile
CID 114087379
2-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]pentane-1-thiol
CID 114086771
1-cyclopentyl-N-ethyl-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104747000
N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745004
2-(ethylamino)-2-(1-methylpiperidin-3-yl)ethanol
CID 116859371
2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
CID 114086520
N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine
CID 114086705
1-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylethanamine
CID 63912798
2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine
CID 114087204

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine (CID 114086713) is 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine is CCNC(CN1CCCN(C)CC1CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine?
The InChIKey is ZUNPZGWHUGFIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-14-11-17(3)9-6-10-18(14)12-15(16-5-2)13-7-8-13/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine?
1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine is sourced from PubChem (CID 114086713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).