1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine

C14H28N4O2 — CID 54452327

IUPAC1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine
SMILESCC(N=O)C(C)NC1CCCCC1NC(C)C(C)N=O
InChIInChI=1S/C14H28N4O2/c1-9(11(3)17-19)15-13-7-5-6-8-14(13)16-10(2)12(4)18-20/h9-16H,5-8H2,1-4H3
InChIKeyWVUGTQZBLCLCCP-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds8

About 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine

1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine (PubChem CID 54452327) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine
PubChem CID54452327
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine
SMILESCC(N=O)C(C)NC1CCCCC1NC(C)C(C)N=O
InChIInChI=1S/C14H28N4O2/c1-9(11(3)17-19)15-13-7-5-6-8-14(13)16-10(2)12(4)18-20/h9-16H,5-8H2,1-4H3
InChIKeyWVUGTQZBLCLCCP-UHFFFAOYSA-N
XLogP2.56
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile
CID 62743028
N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine
CID 102867843
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757
N,2-di(propan-2-yl)cycloheptan-1-amine
CID 164647627
trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine
CID 124709501
2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol
CID 102869994
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine
CID 102868581
3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol
CID 104934399
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
CID 165095676

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine (CID 54452327) is 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine is CC(N=O)C(C)NC1CCCCC1NC(C)C(C)N=O.
What is the InChIKey of 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is WVUGTQZBLCLCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-9(11(3)17-19)15-13-7-5-6-8-14(13)16-10(2)12(4)18-20/h9-16H,5-8H2,1-4H3.
What are the key properties of 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine?
1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 54452327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).