3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane

C14H26N2 — CID 64951403

IUPAC3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
SMILESCC(CC1CC1)N1CCCNC(C2CC2)C1
InChIInChI=1S/C14H26N2/c1-11(9-12-3-4-12)16-8-2-7-15-14(10-16)13-5-6-13/h11-15H,2-10H2,1H3
InChIKeyNOWDZVLEPYFIGX-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds4

About 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane

3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane (PubChem CID 64951403) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
PubChem CID64951403
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
SMILESCC(CC1CC1)N1CCCNC(C2CC2)C1
InChIInChI=1S/C14H26N2/c1-11(9-12-3-4-12)16-8-2-7-15-14(10-16)13-5-6-13/h11-15H,2-10H2,1H3
InChIKeyNOWDZVLEPYFIGX-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
CID 64950354
3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390
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
1-(1-cyclopropylpropan-2-yl)piperidin-3-ol
CID 130652123
1-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)piperazine
CID 64951829
3-cyclopropyl-1-octan-2-ylpiperazine
CID 64925345
4-(2-pyrrolidin-1-ylpropyl)piperidine
CID 105450292
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane
CID 64943423
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine
CID 64954449

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane (CID 64951403) is 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane is CC(CC1CC1)N1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane?
The InChIKey is NOWDZVLEPYFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(9-12-3-4-12)16-8-2-7-15-14(10-16)13-5-6-13/h11-15H,2-10H2,1H3.
What are the key properties of 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane?
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane has a molecular weight of 222.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane is sourced from PubChem (CID 64951403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).