1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine

C10H21N3 — CID 123287600

IUPAC1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine
SMILESCC/N=C(\CC)N1CCCNCC1
InChIInChI=1S/C10H21N3/c1-3-10(12-4-2)13-8-5-6-11-7-9-13/h11H,3-9H2,1-2H3/b12-10+
InChIKeyRMNSQBSSTKHOID-ZRDIBKRKSA-N
MW183.30 g/mol
LogP1.11
Rot. Bonds2

About 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine

1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine (PubChem CID 123287600) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine
PubChem CID123287600
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine
SMILESCC/N=C(\CC)N1CCCNCC1
InChIInChI=1S/C10H21N3/c1-3-10(12-4-2)13-8-5-6-11-7-9-13/h11H,3-9H2,1-2H3/b12-10+
InChIKeyRMNSQBSSTKHOID-ZRDIBKRKSA-N
XLogP1.11
TPSA27.63 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 ≤ 51.11
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'-ethylpiperazine-1-carboximidamide
CID 54270483
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
1-(azepan-1-yl)-N-methylpropan-1-imine
CID 123959692
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
ethanol;1-methyl-1,4-diazepane
CID 174829780
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
CID 119418751
N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43145054
[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylcarbamic acid
CID 155126001
1-(1,4-diazepan-1-yl)-2-propoxyethanone;hydrochloride
CID 119415667
1-(1,4-diazepane-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136520
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine?
The IUPAC name of 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine (CID 123287600) is 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine is CC/N=C(\CC)N1CCCNCC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine?
The InChIKey is RMNSQBSSTKHOID-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-10(12-4-2)13-8-5-6-11-7-9-13/h11H,3-9H2,1-2H3/b12-10+.
What are the key properties of 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine?
1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine has a molecular weight of 183.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine is sourced from PubChem (CID 123287600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).