N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine

C17H30N2O — CID 61483583

IUPACN'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
SMILESCC(C)CCOCCNCCCN(C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-16(2)10-14-20-15-12-18-11-7-13-19(3)17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3
InChIKeyJBGVSBNPPHUHSM-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.17
Rot. Bonds11

About N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine

N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine (PubChem CID 61483583) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
PubChem CID61483583
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
SMILESCC(C)CCOCCNCCCN(C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-16(2)10-14-20-15-12-18-11-7-13-19(3)17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3
InChIKeyJBGVSBNPPHUHSM-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.17
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

N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine
CID 65023767
1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol
CID 107262456
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
CID 103387090

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine (CID 61483583) is N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine is CC(C)CCOCCNCCCN(C)c1ccccc1.
What is the InChIKey of N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine?
The InChIKey is JBGVSBNPPHUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-16(2)10-14-20-15-12-18-11-7-13-19(3)17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3.
What are the key properties of N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine?
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 61483583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).