1-N,1-N-diethylbutane-1,3-diamine

C8H20N2 — CID 12639039

IUPAC1-N,1-N-diethylbutane-1,3-diamine
SMILESCCN(CC)CCC(C)N
InChIInChI=1S/C8H20N2/c1-4-10(5-2)7-6-8(3)9/h8H,4-7,9H2,1-3H3
InChIKeyMYILNZVZVCMGRB-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.07
Rot. Bonds5

About 1-N,1-N-diethylbutane-1,3-diamine

1-N,1-N-diethylbutane-1,3-diamine (PubChem CID 12639039) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-N,1-N-diethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethylbutane-1,3-diamine
PubChem CID12639039
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name1-N,1-N-diethylbutane-1,3-diamine
SMILESCCN(CC)CCC(C)N
InChIInChI=1S/C8H20N2/c1-4-10(5-2)7-6-8(3)9/h8H,4-7,9H2,1-3H3
InChIKeyMYILNZVZVCMGRB-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-1,3-propanediamine
CID 61011
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N,N-bis(3-aminopropyl)methylamine
CID 7777
Dimethyldipropylenetriamine
CID 82728
3-(Dibutylamino)propylamine
CID 1626
Novoldiamine
CID 78953
Bis(3-(methylamino)propyl)methylamine
CID 67161
N-Isopropylpropane-1,3-diamine
CID 76888
N,N-Diethyl-N'-methyl-1,3-propanediamine
CID 79577
N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine
CID 547280
N,N'-Diisopropyl-1,3-propanediamine
CID 144018
1-(Propan-2-yl)piperidin-4-amine
CID 3163333

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethylbutane-1,3-diamine (CID 12639039) is 1-N,1-N-diethylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethylbutane-1,3-diamine is CCN(CC)CCC(C)N.
What is the InChIKey of 1-N,1-N-diethylbutane-1,3-diamine?
The InChIKey is MYILNZVZVCMGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-10(5-2)7-6-8(3)9/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-N,1-N-diethylbutane-1,3-diamine?
1-N,1-N-diethylbutane-1,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethylbutane-1,3-diamine is sourced from PubChem (CID 12639039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).