N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine

C15H27N3 — CID 114525044

IUPACN',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
SMILESCN(C)CCCNCCCN(C)c1ccccc1
InChIInChI=1S/C15H27N3/c1-17(2)13-7-11-16-12-8-14-18(3)15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3
InChIKeyRUHRTMHLEKETDO-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.05
Rot. Bonds9

About N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine

N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine (PubChem CID 114525044) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
PubChem CID114525044
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
SMILESCN(C)CCCNCCCN(C)c1ccccc1
InChIInChI=1S/C15H27N3/c1-17(2)13-7-11-16-12-8-14-18(3)15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3
InChIKeyRUHRTMHLEKETDO-UHFFFAOYSA-N
XLogP2.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
CID 61483583
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine
CID 62758385
N-[(4-chloro-2-fluorophenyl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 114841319
2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol
CID 81410876
1-[[3-(N-methylanilino)propylamino]methyl]cyclopentan-1-ol
CID 65211250

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine (CID 114525044) is N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine is CN(C)CCCNCCCN(C)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine?
The InChIKey is RUHRTMHLEKETDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-17(2)13-7-11-16-12-8-14-18(3)15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine?
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine is sourced from PubChem (CID 114525044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).