1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine

C17H30N2 — CID 115204032

IUPAC1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine
SMILESCc1ccc(C(C)C)cc1CCNCCCC(C)N
InChIInChI=1S/C17H30N2/c1-13(2)16-8-7-14(3)17(12-16)9-11-19-10-5-6-15(4)18/h7-8,12-13,15,19H,5-6,9-11,18H2,1-4H3
InChIKeyQKRWRLZYEMZXOG-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.38
Rot. Bonds8

About 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine

1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine (PubChem CID 115204032) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine
PubChem CID115204032
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine
SMILESCc1ccc(C(C)C)cc1CCNCCCC(C)N
InChIInChI=1S/C17H30N2/c1-13(2)16-8-7-14(3)17(12-16)9-11-19-10-5-6-15(4)18/h7-8,12-13,15,19H,5-6,9-11,18H2,1-4H3
InChIKeyQKRWRLZYEMZXOG-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]pentane-1,4-diamine
CID 115203847
N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]butane-1,4-diamine
CID 115201433
N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 115206022
1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256942
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
CID 115204071
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 115180083
N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115197860
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 115203997
(E)-4-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]but-2-enoic acid
CID 115237295
5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine
CID 89494915
N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine
CID 96662680

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine?
The IUPAC name of 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine (CID 115204032) is 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine?
The canonical SMILES for 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine is Cc1ccc(C(C)C)cc1CCNCCCC(C)N.
What is the InChIKey of 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine?
The InChIKey is QKRWRLZYEMZXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)16-8-7-14(3)17(12-16)9-11-19-10-5-6-15(4)18/h7-8,12-13,15,19H,5-6,9-11,18H2,1-4H3.
What are the key properties of 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine?
1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 115204032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).