N'-ethyl-N',2-dimethylpropane-1,3-diamine

C7H18N2 — CID 25219171

IUPACN'-ethyl-N',2-dimethylpropane-1,3-diamine
SMILESCCN(C)CC(C)CN
InChIInChI=1S/C7H18N2/c1-4-9(3)6-7(2)5-8/h7H,4-6,8H2,1-3H3
InChIKeySICIHXOPFHRGOG-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.53
Rot. Bonds4

About N'-ethyl-N',2-dimethylpropane-1,3-diamine

N'-ethyl-N',2-dimethylpropane-1,3-diamine (PubChem CID 25219171) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N'-ethyl-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N',2-dimethylpropane-1,3-diamine
PubChem CID25219171
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN'-ethyl-N',2-dimethylpropane-1,3-diamine
SMILESCCN(C)CC(C)CN
InChIInChI=1S/C7H18N2/c1-4-9(3)6-7(2)5-8/h7H,4-6,8H2,1-3H3
InChIKeySICIHXOPFHRGOG-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N',2-dimethylpropane-1,3-diamine (CID 25219171) is N'-ethyl-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N',2-dimethylpropane-1,3-diamine is CCN(C)CC(C)CN.
What is the InChIKey of N'-ethyl-N',2-dimethylpropane-1,3-diamine?
The InChIKey is SICIHXOPFHRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-9(3)6-7(2)5-8/h7H,4-6,8H2,1-3H3.
What are the key properties of N'-ethyl-N',2-dimethylpropane-1,3-diamine?
N'-ethyl-N',2-dimethylpropane-1,3-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 25219171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).