1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine

C14H25NO — CID 116661250

IUPAC1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)CC1=CCCCC1
InChIInChI=1S/C14H25NO/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h5,13-14H,1-4,6-11,15H2
InChIKeyJPIADAAQBVWYME-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.16
Rot. Bonds5

About 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine

1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine (PubChem CID 116661250) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine
PubChem CID116661250
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)CC1=CCCCC1
InChIInChI=1S/C14H25NO/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h5,13-14H,1-4,6-11,15H2
InChIKeyJPIADAAQBVWYME-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 116662096
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105029349
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 115847784
1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115842841
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine (CID 116661250) is 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine is NC(CCC1CCCO1)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is JPIADAAQBVWYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h5,13-14H,1-4,6-11,15H2.
What are the key properties of 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine?
1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 116661250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).