1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine

C19H34N2 — CID 63494152

IUPAC1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(C)Cc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-7-12-20-18(19(3,4)5)11-13-21(6)15-17-10-8-9-16(2)14-17/h8-10,14,18,20H,7,11-13,15H2,1-6H3
InChIKeyRFLLDCKYQFHQMJ-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.23
Rot. Bonds8

About 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine

1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine (PubChem CID 63494152) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
PubChem CID63494152
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(C)Cc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-7-12-20-18(19(3,4)5)11-13-21(6)15-17-10-8-9-16(2)14-17/h8-10,14,18,20H,7,11-13,15H2,1-6H3
InChIKeyRFLLDCKYQFHQMJ-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 143932693
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
CID 79197006
1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
CID 62624272
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine
CID 63494801
1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63699837
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
CID 62623379
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947

Frequently Asked Questions

What is the IUPAC name of 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine?
The IUPAC name of 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine (CID 63494152) is 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine.
What is the SMILES notation for 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine?
The canonical SMILES for 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine is CCCNC(CCN(C)Cc1cccc(C)c1)C(C)(C)C.
What is the InChIKey of 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine?
The InChIKey is RFLLDCKYQFHQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-12-20-18(19(3,4)5)11-13-21(6)15-17-10-8-9-16(2)14-17/h8-10,14,18,20H,7,11-13,15H2,1-6H3.
What are the key properties of 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine?
1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine is sourced from PubChem (CID 63494152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).