N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine

C18H30N2O — CID 103070832

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C18H30N2O/c1-6-11-19-13-15(2)14-20(4)16(3)12-17-9-7-8-10-18(17)21-5/h7-10,16,19H,2,6,11-14H2,1,3-5H3
InChIKeyOBVMNQSVHFBBRD-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.11
Rot. Bonds10

About N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine (PubChem CID 103070832) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
PubChem CID103070832
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C18H30N2O/c1-6-11-19-13-15(2)14-20(4)16(3)12-17-9-7-8-10-18(17)21-5/h7-10,16,19H,2,6,11-14H2,1,3-5H3
InChIKeyOBVMNQSVHFBBRD-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070828
trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide
CID 106746134
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342
2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine
CID 103066692
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine (CID 103070832) is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine is C=C(CNCCC)CN(C)C(C)Cc1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
The InChIKey is OBVMNQSVHFBBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-11-19-13-15(2)14-20(4)16(3)12-17-9-7-8-10-18(17)21-5/h7-10,16,19H,2,6,11-14H2,1,3-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 103070832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).