N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine

C18H32N2 — CID 106040066

IUPACN'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
SMILESCCCc1ccc(C(C)NCCCN(C)C(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-8-17-9-11-18(12-10-17)16(4)19-13-7-14-20(5)15(2)3/h9-12,15-16,19H,6-8,13-14H2,1-5H3
InChIKeyZUGSHNVKWWWBMB-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.02
Rot. Bonds9

About N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine (PubChem CID 106040066) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
PubChem CID106040066
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
SMILESCCCc1ccc(C(C)NCCCN(C)C(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-8-17-9-11-18(12-10-17)16(4)19-13-7-14-20(5)15(2)3/h9-12,15-16,19H,6-8,13-14H2,1-5H3
InChIKeyZUGSHNVKWWWBMB-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.02
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

N-[1-(4-butylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63478035
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
CID 103882819
3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43102654
3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 54905763
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
CID 106040787
N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716762
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
N-[1-(4-bromophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636249
N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine
CID 116642928
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103881310

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine (CID 106040066) is N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine is CCCc1ccc(C(C)NCCCN(C)C(C)C)cc1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is ZUGSHNVKWWWBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-8-17-9-11-18(12-10-17)16(4)19-13-7-14-20(5)15(2)3/h9-12,15-16,19H,6-8,13-14H2,1-5H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 106040066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).