3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine

C17H35N — CID 64908358

IUPAC3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCCC(CC)CC1CCC(NCCC)C1C
InChIInChI=1S/C17H35N/c1-5-8-9-15(7-3)13-16-10-11-17(14(16)4)18-12-6-2/h14-18H,5-13H2,1-4H3
InChIKeyHUAFVHVULZVWTB-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds9

About 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine

3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 64908358) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
PubChem CID64908358
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCCC(CC)CC1CCC(NCCC)C1C
InChIInChI=1S/C17H35N/c1-5-8-9-15(7-3)13-16-10-11-17(14(16)4)18-12-6-2/h14-18H,5-13H2,1-4H3
InChIKeyHUAFVHVULZVWTB-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine
CID 81018447
2-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82930093
2-(2-ethylhexyl)-N-methylcyclopentan-1-amine
CID 63400350
3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
CID 114507677
2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine
CID 55187488
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65096786
N-(3-ethylheptyl)-2-methyloxolan-3-amine
CID 115885895
3-(2-ethylhexyl)-2-methylcyclopentan-1-one
CID 64908527
N-ethyl-2-methyl-3-pentylcyclopentan-1-amine
CID 64907904
2-(2-ethylhexyl)cyclopentane-1-carboxylic acid
CID 81008544
N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024041

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine (CID 64908358) is 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine is CCCCC(CC)CC1CCC(NCCC)C1C.
What is the InChIKey of 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is HUAFVHVULZVWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-8-9-15(7-3)13-16-10-11-17(14(16)4)18-12-6-2/h14-18H,5-13H2,1-4H3.
What are the key properties of 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine?
3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64908358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).