N'-butan-2-yl-N'-methylethane-1,2-diamine

C7H18N2 — CID 43272632

IUPACN'-butan-2-yl-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCN
InChIInChI=1S/C7H18N2/c1-4-7(2)9(3)6-5-8/h7H,4-6,8H2,1-3H3
InChIKeyBKUIZZSXNHURBW-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.68
Rot. Bonds4

About N'-butan-2-yl-N'-methylethane-1,2-diamine

N'-butan-2-yl-N'-methylethane-1,2-diamine (PubChem CID 43272632) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methylethane-1,2-diamine
PubChem CID43272632
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN'-butan-2-yl-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCN
InChIInChI=1S/C7H18N2/c1-4-7(2)9(3)6-5-8/h7H,4-6,8H2,1-3H3
InChIKeyBKUIZZSXNHURBW-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methylethane-1,2-diamine (CID 43272632) is N'-butan-2-yl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methylethane-1,2-diamine is CCC(C)N(C)CCN.
What is the InChIKey of N'-butan-2-yl-N'-methylethane-1,2-diamine?
The InChIKey is BKUIZZSXNHURBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-7(2)9(3)6-5-8/h7H,4-6,8H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-methylethane-1,2-diamine?
N'-butan-2-yl-N'-methylethane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 43272632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).