1-cyclopentylhexan-1-imine

C11H21N — CID 91136727

IUPAC1-cyclopentylhexan-1-imine
SMILES[H]/N=C(\CCCCC)C1CCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-9-11(12)10-7-5-6-8-10/h10,12H,2-9H2,1H3/b12-11+
InChIKeyZNSOQQZTLDWYBN-VAWYXSNFSA-N
MW167.30 g/mol
LogP3.78
Rot. Bonds5

About 1-cyclopentylhexan-1-imine

1-cyclopentylhexan-1-imine (PubChem CID 91136727) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-cyclopentylhexan-1-imine.

Molecular Properties

Compound Name1-cyclopentylhexan-1-imine
PubChem CID91136727
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-cyclopentylhexan-1-imine
SMILES[H]/N=C(\CCCCC)C1CCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-9-11(12)10-7-5-6-8-10/h10,12H,2-9H2,1H3/b12-11+
InChIKeyZNSOQQZTLDWYBN-VAWYXSNFSA-N
XLogP3.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-methylbutan-1-imine
CID 129070269
1-cyclohexyldecan-1-one
CID 63409715
1-cyclobutyldodecan-1-one
CID 115811550
1-cycloheptylpentan-1-one
CID 65399298
2-pyrrolidin-1-yloct-1-en-3-imine
CID 142437809
7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
CID 90977490
CID 11105912
CID 11105912
2-cyclohexyl-3-pentylbut-2-enedioic acid
CID 123802855
1-cyclopentylpentadecan-3-one
CID 114969105
1,1-dicyclopentyl-N-pentylmethanimine
CID 21412176
1-(7-bicyclo[4.1.0]heptanyl)hexan-1-one
CID 114966956
ethyl cyclopentanecarboximidate
CID 11412691

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylhexan-1-imine?
The IUPAC name of 1-cyclopentylhexan-1-imine (CID 91136727) is 1-cyclopentylhexan-1-imine.
What is the SMILES notation for 1-cyclopentylhexan-1-imine?
The canonical SMILES for 1-cyclopentylhexan-1-imine is [H]/N=C(\CCCCC)C1CCCC1.
What is the InChIKey of 1-cyclopentylhexan-1-imine?
The InChIKey is ZNSOQQZTLDWYBN-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-9-11(12)10-7-5-6-8-10/h10,12H,2-9H2,1H3/b12-11+.
What are the key properties of 1-cyclopentylhexan-1-imine?
1-cyclopentylhexan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylhexan-1-imine is sourced from PubChem (CID 91136727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).