4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine

C16H27ClN2 — CID 62411652

IUPAC4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)NCCCC(C)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2/c1-13(2)18-11-5-6-14(3)19(4)12-15-7-9-16(17)10-8-15/h7-10,13-14,18H,5-6,11-12H2,1-4H3
InChIKeyBLWJVXOTZDFVRS-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.94
Rot. Bonds8

About 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine

4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine (PubChem CID 62411652) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
PubChem CID62411652
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)NCCCC(C)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2/c1-13(2)18-11-5-6-14(3)19(4)12-15-7-9-16(17)10-8-15/h7-10,13-14,18H,5-6,11-12H2,1-4H3
InChIKeyBLWJVXOTZDFVRS-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.94
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

4-N-methyl-1-N-propan-2-yl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421578
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62437144
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62463683
4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62411375
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763
1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62413585
4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
CID 62431547
1-methoxy-N-methyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-2-amine
CID 105347285
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
CID 63025005
4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62431023

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine (CID 62411652) is 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine is CC(C)NCCCC(C)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is BLWJVXOTZDFVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-13(2)18-11-5-6-14(3)19(4)12-15-7-9-16(17)10-8-15/h7-10,13-14,18H,5-6,11-12H2,1-4H3.
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 282.86 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 62411652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).