2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine

C18H32N2 — CID 63481010

IUPAC2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(Cc1cc(C)cc(C)c1)C(CC)(CC)CN
InChIInChI=1S/C18H32N2/c1-6-9-20(18(7-2,8-3)14-19)13-17-11-15(4)10-16(5)12-17/h10-12H,6-9,13-14,19H2,1-5H3
InChIKeyRURCHQCQINSXBD-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.03
Rot. Bonds8

About 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine

2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine (PubChem CID 63481010) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine
PubChem CID63481010
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(Cc1cc(C)cc(C)c1)C(CC)(CC)CN
InChIInChI=1S/C18H32N2/c1-6-9-20(18(7-2,8-3)14-19)13-17-11-15(4)10-16(5)12-17/h10-12H,6-9,13-14,19H2,1-5H3
InChIKeyRURCHQCQINSXBD-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine (CID 63481010) is 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine is CCCN(Cc1cc(C)cc(C)c1)C(CC)(CC)CN.
What is the InChIKey of 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine?
The InChIKey is RURCHQCQINSXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-9-20(18(7-2,8-3)14-19)13-17-11-15(4)10-16(5)12-17/h10-12H,6-9,13-14,19H2,1-5H3.
What are the key properties of 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine?
2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 63481010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).