1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine

C16H33N — CID 105027902

IUPAC1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCCCCC1)C(C)(C)CC
InChIInChI=1S/C16H33N/c1-5-13-17-15(16(3,4)6-2)14-11-9-7-8-10-12-14/h14-15,17H,5-13H2,1-4H3
InChIKeyUSBHVQPZJHAGBY-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds6

About 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine

1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 105027902) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID105027902
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCCCCC1)C(C)(C)CC
InChIInChI=1S/C16H33N/c1-5-13-17-15(16(3,4)6-2)14-11-9-7-8-10-12-14/h14-15,17H,5-13H2,1-4H3
InChIKeyUSBHVQPZJHAGBY-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine (CID 105027902) is 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine is CCCNC(C1CCCCCC1)C(C)(C)CC.
What is the InChIKey of 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is USBHVQPZJHAGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-13-17-15(16(3,4)6-2)14-11-9-7-8-10-12-14/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine?
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 105027902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).