N-(1-isocyanocyclobutyl)cyclohexanamine

C11H18N2 — CID 123251847

IUPACN-(1-isocyanocyclobutyl)cyclohexanamine
SMILES[C-]#[N+]C1(NC2CCCCC2)CCC1
InChIInChI=1S/C11H18N2/c1-12-11(8-5-9-11)13-10-6-3-2-4-7-10/h10,13H,2-9H2
InChIKeyZSSSCLXAWNMTNI-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.71
Rot. Bonds2

About N-(1-isocyanocyclobutyl)cyclohexanamine

N-(1-isocyanocyclobutyl)cyclohexanamine (PubChem CID 123251847) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(1-isocyanocyclobutyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1-isocyanocyclobutyl)cyclohexanamine
PubChem CID123251847
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(1-isocyanocyclobutyl)cyclohexanamine
SMILES[C-]#[N+]C1(NC2CCCCC2)CCC1
InChIInChI=1S/C11H18N2/c1-12-11(8-5-9-11)13-10-6-3-2-4-7-10/h10,13H,2-9H2
InChIKeyZSSSCLXAWNMTNI-UHFFFAOYSA-N
XLogP2.71
TPSA16.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylcyclopropyl)cyclohexanamine
CID 115907289
N-(1-cyclopropylcyclopropyl)cyclohexanamine
CID 130685759
(1-isocyanocyclopropyl)cycloheptane
CID 84764726
[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
N-[1-(chloromethyl)cyclopentyl]cycloheptanamine
CID 82937078
N-cyclohexyl-1-methylcyclopropane-1-sulfonamide
CID 128542205
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]cyclohexanamine
CID 79857362
1,2-di(cyclononyl)hydrazine
CID 155042261
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
3-(cycloheptylamino)oxolane-3-carboxylic acid
CID 63333317
1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine
CID 154365130

Frequently Asked Questions

What is the IUPAC name of N-(1-isocyanocyclobutyl)cyclohexanamine?
The IUPAC name of N-(1-isocyanocyclobutyl)cyclohexanamine (CID 123251847) is N-(1-isocyanocyclobutyl)cyclohexanamine.
What is the SMILES notation for N-(1-isocyanocyclobutyl)cyclohexanamine?
The canonical SMILES for N-(1-isocyanocyclobutyl)cyclohexanamine is [C-]#[N+]C1(NC2CCCCC2)CCC1.
What is the InChIKey of N-(1-isocyanocyclobutyl)cyclohexanamine?
The InChIKey is ZSSSCLXAWNMTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-12-11(8-5-9-11)13-10-6-3-2-4-7-10/h10,13H,2-9H2.
What are the key properties of N-(1-isocyanocyclobutyl)cyclohexanamine?
N-(1-isocyanocyclobutyl)cyclohexanamine has a molecular weight of 178.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-isocyanocyclobutyl)cyclohexanamine is sourced from PubChem (CID 123251847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).