N-(cyclopentylideneamino)oxan-3-amine

C10H18N2O — CID 131201591

IUPACN-(cyclopentylideneamino)oxan-3-amine
SMILESC1CCC(=NNC2CCCOC2)C1
InChIInChI=1S/C10H18N2O/c1-2-5-9(4-1)11-12-10-6-3-7-13-8-10/h10,12H,1-8H2
InChIKeyGZWVKFLBRQANKE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.68
Rot. Bonds2

About N-(cyclopentylideneamino)oxan-3-amine

N-(cyclopentylideneamino)oxan-3-amine (PubChem CID 131201591) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(cyclopentylideneamino)oxan-3-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)oxan-3-amine
PubChem CID131201591
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(cyclopentylideneamino)oxan-3-amine
SMILESC1CCC(=NNC2CCCOC2)C1
InChIInChI=1S/C10H18N2O/c1-2-5-9(4-1)11-12-10-6-3-7-13-8-10/h10,12H,1-8H2
InChIKeyGZWVKFLBRQANKE-UHFFFAOYSA-N
XLogP1.68
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-methyloxan-3-amine
CID 58327948
N-cycloheptyloxan-3-amine
CID 63359772
N-(oxan-3-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79503427
N-(3-cyclopropylcyclohexyl)oxan-3-amine
CID 64623380
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
N-(oxan-3-yl)acetamide
CID 55285282
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
N-(2,3-dihydro-1H-inden-1-yl)oxan-3-amine
CID 63359821
N-methyl-3-(oxan-3-yl)cycloheptan-1-amine
CID 107137797
N-(2,2-dimethylpropyl)oxan-3-amine
CID 63360307

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)oxan-3-amine?
The IUPAC name of N-(cyclopentylideneamino)oxan-3-amine (CID 131201591) is N-(cyclopentylideneamino)oxan-3-amine.
What is the SMILES notation for N-(cyclopentylideneamino)oxan-3-amine?
The canonical SMILES for N-(cyclopentylideneamino)oxan-3-amine is C1CCC(=NNC2CCCOC2)C1.
What is the InChIKey of N-(cyclopentylideneamino)oxan-3-amine?
The InChIKey is GZWVKFLBRQANKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-5-9(4-1)11-12-10-6-3-7-13-8-10/h10,12H,1-8H2.
What are the key properties of N-(cyclopentylideneamino)oxan-3-amine?
N-(cyclopentylideneamino)oxan-3-amine has a molecular weight of 182.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)oxan-3-amine is sourced from PubChem (CID 131201591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).