1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine

C10H24N2 — CID 79087133

IUPAC1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
SMILESCCC(CCN(CC)CC)NC
InChIInChI=1S/C10H24N2/c1-5-10(11-4)8-9-12(6-2)7-3/h10-11H,5-9H2,1-4H3
InChIKeyDIOFICFEOHHURW-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.72
Rot. Bonds7

About 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine

1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine (PubChem CID 79087133) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
PubChem CID79087133
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
SMILESCCC(CCN(CC)CC)NC
InChIInChI=1S/C10H24N2/c1-5-10(11-4)8-9-12(6-2)7-3/h10-11H,5-9H2,1-4H3
InChIKeyDIOFICFEOHHURW-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine (CID 79087133) is 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine is CCC(CCN(CC)CC)NC.
What is the InChIKey of 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine?
The InChIKey is DIOFICFEOHHURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-10(11-4)8-9-12(6-2)7-3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine?
1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine is sourced from PubChem (CID 79087133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).