N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C17H30N2 — CID 43294635

IUPACN-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-5-6-7-12-19(4)17(13-18)16-10-8-15(9-11-16)14(2)3/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeyMWINEYUSLMLYLF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.93
Rot. Bonds8

About N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 43294635) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID43294635
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-5-6-7-12-19(4)17(13-18)16-10-8-15(9-11-16)14(2)3/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeyMWINEYUSLMLYLF-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine
CID 54919770
1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 63208199
1-(3-bromo-4-methylphenyl)-N-methyl-N-pentylethane-1,2-diamine
CID 105404728
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 60869742
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine
CID 43294656
N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 43294622
5-[(2-amino-1-phenylethyl)-methylamino]pentan-1-ol
CID 107198422
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695333
1-(7-chloro-1,3-benzodioxol-5-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 43294662

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 43294635) is N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CCCCCN(C)C(CN)c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is MWINEYUSLMLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-6-7-12-19(4)17(13-18)16-10-8-15(9-11-16)14(2)3/h8-11,14,17H,5-7,12-13,18H2,1-4H3.
What are the key properties of N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43294635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).