3-cyclopropyl-1-hexan-2-yl-1,4-diazepane

C14H28N2 — CID 64950354

IUPAC3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
SMILESCCCCC(C)N1CCCNC(C2CC2)C1
InChIInChI=1S/C14H28N2/c1-3-4-6-12(2)16-10-5-9-15-14(11-16)13-7-8-13/h12-15H,3-11H2,1-2H3
InChIKeyQECFHHJHOFFJAG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

About 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane

3-cyclopropyl-1-hexan-2-yl-1,4-diazepane (PubChem CID 64950354) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
PubChem CID64950354
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
SMILESCCCCC(C)N1CCCNC(C2CC2)C1
InChIInChI=1S/C14H28N2/c1-3-4-6-12(2)16-10-5-9-15-14(11-16)13-7-8-13/h12-15H,3-11H2,1-2H3
InChIKeyQECFHHJHOFFJAG-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390
3-cyclopropyl-1-octan-2-ylpiperazine
CID 64925345
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
CID 64951403
1-hexan-2-yl-1,5-diazocane
CID 62200653
3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64944397
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
(4aS,8aS)-6-[(2S)-hexan-2-yl]-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 146507365
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane
CID 64945203
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
3-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64833817
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane (CID 64950354) is 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane is CCCCC(C)N1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane?
The InChIKey is QECFHHJHOFFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-4-6-12(2)16-10-5-9-15-14(11-16)13-7-8-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane?
3-cyclopropyl-1-hexan-2-yl-1,4-diazepane has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-hexan-2-yl-1,4-diazepane is sourced from PubChem (CID 64950354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).