N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine

C21H35N — CID 143703941

IUPACN-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine
SMILESCC(C)Cc1ccc(CCCCC(C)NCCC2CC2)cc1
InChIInChI=1S/C21H35N/c1-17(2)16-21-12-10-19(11-13-21)7-5-4-6-18(3)22-15-14-20-8-9-20/h10-13,17-18,20,22H,4-9,14-16H2,1-3H3
InChIKeyHWWGIPCPZOOWJR-UHFFFAOYSA-N
MW301.52 g/mol
LogP5.38
Rot. Bonds11

About N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine

N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine (PubChem CID 143703941) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine
PubChem CID143703941
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC NameN-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine
SMILESCC(C)Cc1ccc(CCCCC(C)NCCC2CC2)cc1
InChIInChI=1S/C21H35N/c1-17(2)16-21-12-10-19(11-13-21)7-5-4-6-18(3)22-15-14-20-8-9-20/h10-13,17-18,20,22H,4-9,14-16H2,1-3H3
InChIKeyHWWGIPCPZOOWJR-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
N-(2-cyclopropylethyl)-1-pyridin-4-ylpropan-2-amine
CID 115892089
6-phenyl-N-propylhexan-2-amine
CID 61485022
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
CID 115717494
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine (CID 143703941) is N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine is CC(C)Cc1ccc(CCCCC(C)NCCC2CC2)cc1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine?
The InChIKey is HWWGIPCPZOOWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-17(2)16-21-12-10-19(11-13-21)7-5-4-6-18(3)22-15-14-20-8-9-20/h10-13,17-18,20,22H,4-9,14-16H2,1-3H3.
What are the key properties of N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine?
N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine has a molecular weight of 301.52 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-6-[4-(2-methylpropyl)phenyl]hexan-2-amine is sourced from PubChem (CID 143703941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).