1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine

C16H33N — CID 79411539

IUPAC1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)C1CCCC(CC)C1
InChIInChI=1S/C16H33N/c1-5-7-11-16(17-13(3)4)15-10-8-9-14(6-2)12-15/h13-17H,5-12H2,1-4H3
InChIKeyHDFMWFXNSGBJIB-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds7

About 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine

1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine (PubChem CID 79411539) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
PubChem CID79411539
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)C1CCCC(CC)C1
InChIInChI=1S/C16H33N/c1-5-7-11-16(17-13(3)4)15-10-8-9-14(6-2)12-15/h13-17H,5-12H2,1-4H3
InChIKeyHDFMWFXNSGBJIB-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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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Related Compounds

1-(4-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
CID 79411773
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
1-(3-ethylcyclohexyl)-N-methylhex-5-en-1-amine
CID 65414544
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
1,3-diethylcyclohexane;hexane;3-methylheptane
CID 164992405
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129
N-ethyl-1-(3-ethylcyclopentyl)hexan-1-amine
CID 65409647
N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine
CID 113374324
1-(3-ethylcyclohexyl)-4-methoxy-N-methylpentan-1-amine
CID 105156121
N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine
CID 107009239

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine (CID 79411539) is 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine is CCCCC(NC(C)C)C1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine?
The InChIKey is HDFMWFXNSGBJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-11-16(17-13(3)4)15-10-8-9-14(6-2)12-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine?
1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79411539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).