N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine

C17H35N — CID 55200354

IUPACN-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCC(CC)CNC1CCC(C(C)C)CC1
InChIInChI=1S/C17H35N/c1-5-7-8-15(6-2)13-18-17-11-9-16(10-12-17)14(3)4/h14-18H,5-13H2,1-4H3
InChIKeyBUNJNGTZSQSGBR-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds8

About N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine

N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55200354) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID55200354
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCC(CC)CNC1CCC(C(C)C)CC1
InChIInChI=1S/C17H35N/c1-5-7-8-15(6-2)13-18-17-11-9-16(10-12-17)14(3)4/h14-18H,5-13H2,1-4H3
InChIKeyBUNJNGTZSQSGBR-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
N-(2-ethylheptyl)piperidin-4-amine
CID 69327610
N-[2-(2-methylpropyl)undecyl]cyclopropanamine
CID 63497802
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
2-(cyclopropylamino)-N-(2-ethylhexyl)acetamide
CID 54773137
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
CID 65425475

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine (CID 55200354) is N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine is CCCCC(CC)CNC1CCC(C(C)C)CC1.
What is the InChIKey of N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BUNJNGTZSQSGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-7-8-15(6-2)13-18-17-11-9-16(10-12-17)14(3)4/h14-18H,5-13H2,1-4H3.
What are the key properties of N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine?
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55200354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).