N-butylcyclohex-2-en-1-imine;pentane

C15H29N — CID 70620704

IUPACN-butylcyclohex-2-en-1-imine;pentane
SMILESCCCC/N=C1/C=CCCC1.CCCCC
InChIInChI=1S/C10H17N.C5H12/c1-2-3-9-11-10-7-5-4-6-8-10;1-3-5-4-2/h5,7H,2-4,6,8-9H2,1H3;3-5H2,1-2H3/b11-10-;
InChIKeyXCKYWUPKXYXXNC-GMFCBQQYSA-N
MW223.40 g/mol
LogP5.16
Rot. Bonds5

About N-butylcyclohex-2-en-1-imine;pentane

N-butylcyclohex-2-en-1-imine;pentane (PubChem CID 70620704) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-butylcyclohex-2-en-1-imine;pentane.

Molecular Properties

Compound NameN-butylcyclohex-2-en-1-imine;pentane
PubChem CID70620704
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-butylcyclohex-2-en-1-imine;pentane
SMILESCCCC/N=C1/C=CCCC1.CCCCC
InChIInChI=1S/C10H17N.C5H12/c1-2-3-9-11-10-7-5-4-6-8-10;1-3-5-4-2/h5,7H,2-4,6,8-9H2,1H3;3-5H2,1-2H3/b11-10-;
InChIKeyXCKYWUPKXYXXNC-GMFCBQQYSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-butylcyclohex-2-en-1-imine;pentane?
The IUPAC name of N-butylcyclohex-2-en-1-imine;pentane (CID 70620704) is N-butylcyclohex-2-en-1-imine;pentane.
What is the SMILES notation for N-butylcyclohex-2-en-1-imine;pentane?
The canonical SMILES for N-butylcyclohex-2-en-1-imine;pentane is CCCC/N=C1/C=CCCC1.CCCCC.
What is the InChIKey of N-butylcyclohex-2-en-1-imine;pentane?
The InChIKey is XCKYWUPKXYXXNC-GMFCBQQYSA-N. The full InChI is InChI=1S/C10H17N.C5H12/c1-2-3-9-11-10-7-5-4-6-8-10;1-3-5-4-2/h5,7H,2-4,6,8-9H2,1H3;3-5H2,1-2H3/b11-10-;.
What are the key properties of N-butylcyclohex-2-en-1-imine;pentane?
N-butylcyclohex-2-en-1-imine;pentane has a molecular weight of 223.40 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclohex-2-en-1-imine;pentane is sourced from PubChem (CID 70620704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).