N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine

C17H27N — CID 96662680

IUPACN-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine
SMILESCc1ccc(C(C)C)cc1CCNC1CCCC1
InChIInChI=1S/C17H27N/c1-13(2)15-9-8-14(3)16(12-15)10-11-18-17-6-4-5-7-17/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3
InChIKeyZJRSOZUHFDSIGQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.19
Rot. Bonds5

About N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine

N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine (PubChem CID 96662680) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine
PubChem CID96662680
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine
SMILESCc1ccc(C(C)C)cc1CCNC1CCCC1
InChIInChI=1S/C17H27N/c1-13(2)15-9-8-14(3)16(12-15)10-11-18-17-6-4-5-7-17/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3
InChIKeyZJRSOZUHFDSIGQ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 115206022
N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96676952
2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256942
N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 115206884
N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
CID 98017018
N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96679061
1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene
CID 142112281
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
N-[(3-propan-2-ylphenyl)methyl]cyclopentanamine
CID 126684599

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine (CID 96662680) is N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine is Cc1ccc(C(C)C)cc1CCNC1CCCC1.
What is the InChIKey of N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine?
The InChIKey is ZJRSOZUHFDSIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)15-9-8-14(3)16(12-15)10-11-18-17-6-4-5-7-17/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine?
N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine has a molecular weight of 245.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine is sourced from PubChem (CID 96662680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).