N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine

C19H34N2 — CID 63482171

IUPACN,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)Cc1ccc(C)cc1
InChIInChI=1S/C19H34N2/c1-6-12-19(4,15-20-13-7-2)16-21(5)14-18-10-8-17(3)9-11-18/h8-11,20H,6-7,12-16H2,1-5H3
InChIKeyKXZRGRKSQFOXQO-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.23
Rot. Bonds10

About N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine

N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine (PubChem CID 63482171) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
PubChem CID63482171
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)Cc1ccc(C)cc1
InChIInChI=1S/C19H34N2/c1-6-12-19(4,15-20-13-7-2)16-21(5)14-18-10-8-17(3)9-11-18/h8-11,20H,6-7,12-16H2,1-5H3
InChIKeyKXZRGRKSQFOXQO-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.23
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-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541
N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine
CID 63483398
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839
N-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62255914
N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62262340
N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine
CID 165462183
N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62574152
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 63494582

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine (CID 63482171) is N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine is CCCNCC(C)(CCC)CN(C)Cc1ccc(C)cc1.
What is the InChIKey of N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine?
The InChIKey is KXZRGRKSQFOXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-12-19(4,15-20-13-7-2)16-21(5)14-18-10-8-17(3)9-11-18/h8-11,20H,6-7,12-16H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine?
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine is sourced from PubChem (CID 63482171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).