1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine

C16H33NO — CID 114340871

IUPAC1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine
SMILESCCCNC(CCC)COC1CCC(C)(C)CC1
InChIInChI=1S/C16H33NO/c1-5-7-14(17-12-6-2)13-18-15-8-10-16(3,4)11-9-15/h14-15,17H,5-13H2,1-4H3
InChIKeyKNXLVOWOHPQOAX-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds8

About 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine

1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine (PubChem CID 114340871) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine
PubChem CID114340871
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine
SMILESCCCNC(CCC)COC1CCC(C)(C)CC1
InChIInChI=1S/C16H33NO/c1-5-7-14(17-12-6-2)13-18-15-8-10-16(3,4)11-9-15/h14-15,17H,5-13H2,1-4H3
InChIKeyKNXLVOWOHPQOAX-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylcyclohexyl)oxy-N-propylpentan-2-amine
CID 62041478
4-(4,4-dimethylcyclohexyl)oxy-2-(propylamino)butan-1-ol
CID 114342744
1-cycloheptyloxy-N-ethylpentan-2-amine
CID 62042563
N-ethyl-1-(oxan-4-yloxy)pentan-2-amine
CID 62043214
1-cyclopentyloxy-N-methylpentan-2-amine
CID 62042118
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 114340882
1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine
CID 107506875
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine
CID 62042774
1-methoxy-N-propylhexan-3-amine
CID 61412304
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol
CID 114341920
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-propoxy-N-propylheptan-4-amine
CID 79568616

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine (CID 114340871) is 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine is CCCNC(CCC)COC1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine?
The InChIKey is KNXLVOWOHPQOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-7-14(17-12-6-2)13-18-15-8-10-16(3,4)11-9-15/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine?
1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine is sourced from PubChem (CID 114340871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).