1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine

C17H30N2 — CID 116905803

IUPAC1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine
SMILESCCCc1ccc(C(CCC(C)(C)N)N(C)C)cc1
InChIInChI=1S/C17H30N2/c1-6-7-14-8-10-15(11-9-14)16(19(4)5)12-13-17(2,3)18/h8-11,16H,6-7,12-13,18H2,1-5H3
InChIKeyHNCKLYMIGIETIV-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.76
Rot. Bonds7

About 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine

1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine (PubChem CID 116905803) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine
PubChem CID116905803
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine
SMILESCCCc1ccc(C(CCC(C)(C)N)N(C)C)cc1
InChIInChI=1S/C17H30N2/c1-6-7-14-8-10-15(11-9-14)16(19(4)5)12-13-17(2,3)18/h8-11,16H,6-7,12-13,18H2,1-5H3
InChIKeyHNCKLYMIGIETIV-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine
CID 116905819
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598
3-methyl-1-N-[(4-propylphenyl)methyl]butane-1,3-diamine
CID 115200583
2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79054269
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289
dimethylamino-(4-propylphenyl)methanethiol
CID 116909375
4-methyl-1-N-[(4-propylphenyl)methyl]pentane-1,4-diamine
CID 115205314
1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950168
4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
CID 114211492
1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905841
1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905015

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine (CID 116905803) is 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine is CCCc1ccc(C(CCC(C)(C)N)N(C)C)cc1.
What is the InChIKey of 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine?
The InChIKey is HNCKLYMIGIETIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-7-14-8-10-15(11-9-14)16(19(4)5)12-13-17(2,3)18/h8-11,16H,6-7,12-13,18H2,1-5H3.
What are the key properties of 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine?
1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine is sourced from PubChem (CID 116905803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).