3-butyl-2-propan-2-ylidenecycloheptan-1-imine

C14H25N — CID 154677131

IUPAC3-butyl-2-propan-2-ylidenecycloheptan-1-imine
SMILES[H]/N=C1\CCCCC(CCCC)C1=C(C)C
InChIInChI=1S/C14H25N/c1-4-5-8-12-9-6-7-10-13(15)14(12)11(2)3/h12,15H,4-10H2,1-3H3/b15-13+
InChIKeyUDMQTNNWXGYDFN-FYWRMAATSA-N
MW207.36 g/mol
LogP4.72
Rot. Bonds3

About 3-butyl-2-propan-2-ylidenecycloheptan-1-imine

3-butyl-2-propan-2-ylidenecycloheptan-1-imine (PubChem CID 154677131) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-butyl-2-propan-2-ylidenecycloheptan-1-imine.

Molecular Properties

Compound Name3-butyl-2-propan-2-ylidenecycloheptan-1-imine
PubChem CID154677131
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-butyl-2-propan-2-ylidenecycloheptan-1-imine
SMILES[H]/N=C1\CCCCC(CCCC)C1=C(C)C
InChIInChI=1S/C14H25N/c1-4-5-8-12-9-6-7-10-13(15)14(12)11(2)3/h12,15H,4-10H2,1-3H3/b15-13+
InChIKeyUDMQTNNWXGYDFN-FYWRMAATSA-N
XLogP4.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine
CID 178159868
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
4-(2,6,6-Trimethylcyclohexen-1-yl)butan-2-imine
CID 89084634
3,5-Dimethylcyclohept-2-en-1-imine
CID 90778792
2,6-Dimethylcyclohept-2-en-1-imine
CID 90899794
6-Tert-butyl-4,5,7-trimethylnon-6-en-3-imine
CID 91135805
5-Ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
CID 91205691
6-Propyl-3,6,7,8,9,9a-hexahydrobenzo[7]annulen-5-imine
CID 91352755
1-[2-(3-Ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine
CID 118396529
4-Ethylcyclohept-2-en-1-imine
CID 123193620
7-Ethyl-3,5,5-trimethylcyclohept-2-en-1-imine
CID 123236420
3-Ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine
CID 123276533

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-propan-2-ylidenecycloheptan-1-imine?
The IUPAC name of 3-butyl-2-propan-2-ylidenecycloheptan-1-imine (CID 154677131) is 3-butyl-2-propan-2-ylidenecycloheptan-1-imine.
What is the SMILES notation for 3-butyl-2-propan-2-ylidenecycloheptan-1-imine?
The canonical SMILES for 3-butyl-2-propan-2-ylidenecycloheptan-1-imine is [H]/N=C1\CCCCC(CCCC)C1=C(C)C.
What is the InChIKey of 3-butyl-2-propan-2-ylidenecycloheptan-1-imine?
The InChIKey is UDMQTNNWXGYDFN-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25N/c1-4-5-8-12-9-6-7-10-13(15)14(12)11(2)3/h12,15H,4-10H2,1-3H3/b15-13+.
What are the key properties of 3-butyl-2-propan-2-ylidenecycloheptan-1-imine?
3-butyl-2-propan-2-ylidenecycloheptan-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-propan-2-ylidenecycloheptan-1-imine is sourced from PubChem (CID 154677131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).