1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine

C10H21N3 — CID 130645559

IUPAC1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCCN(CC)CC1
InChIInChI=1S/C10H21N3/c1-3-10(11)13-7-5-6-12(4-2)8-9-13/h11H,3-9H2,1-2H3/b11-10+
InChIKeyLMWKABAYVKRTKG-ZHACJKMWSA-N
MW183.30 g/mol
LogP1.40
Rot. Bonds2

About 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine

1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine (PubChem CID 130645559) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine
PubChem CID130645559
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCCN(CC)CC1
InChIInChI=1S/C10H21N3/c1-3-10(11)13-7-5-6-12(4-2)8-9-13/h11H,3-9H2,1-2H3/b11-10+
InChIKeyLMWKABAYVKRTKG-ZHACJKMWSA-N
XLogP1.40
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine
CID 63174383
2-(4-butanimidoyl-1,4-diazepan-1-yl)ethanol
CID 107226623
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine
CID 131071424
1-(4,4-dimethylazepan-1-yl)propan-1-imine
CID 65286991
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102
1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-imine
CID 63173686
1-(4-propylpiperazin-1-yl)butan-1-imine
CID 63178941
tert-butyl 4-propanimidoylpiperazine-1-carboxylate
CID 139528036
2-amino-1-(4-ethyl-1,4-diazepan-1-yl)propan-1-one
CID 83635043
2-chloro-1-(4-ethyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 131059736
1,6-diethyl-1,6-diazecane
CID 172611513
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine?
The IUPAC name of 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine (CID 130645559) is 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine.
What is the SMILES notation for 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine?
The canonical SMILES for 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine is [H]/N=C(\CC)N1CCCN(CC)CC1.
What is the InChIKey of 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine?
The InChIKey is LMWKABAYVKRTKG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-10(11)13-7-5-6-12(4-2)8-9-13/h11H,3-9H2,1-2H3/b11-10+.
What are the key properties of 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine?
1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine has a molecular weight of 183.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine is sourced from PubChem (CID 130645559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).