1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine

C13H30N2 — CID 81012403

IUPAC1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
SMILESCCCN(C(C)C)C(C)C(C)CNCC
InChIInChI=1S/C13H30N2/c1-7-9-15(11(3)4)13(6)12(5)10-14-8-2/h11-14H,7-10H2,1-6H3
InChIKeyLAWRRTOMOMOPCP-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds8

About 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine

1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine (PubChem CID 81012403) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
PubChem CID81012403
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
SMILESCCCN(C(C)C)C(C)C(C)CNCC
InChIInChI=1S/C13H30N2/c1-7-9-15(11(3)4)13(6)12(5)10-14-8-2/h11-14H,7-10H2,1-6H3
InChIKeyLAWRRTOMOMOPCP-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine (CID 81012403) is 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine is CCCN(C(C)C)C(C)C(C)CNCC.
What is the InChIKey of 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine?
The InChIKey is LAWRRTOMOMOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-9-15(11(3)4)13(6)12(5)10-14-8-2/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine?
1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 81012403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).