1-N',1-N'-dibutylethane-1,1-diamine

C10H24N2 — CID 22600656

IUPAC1-N',1-N'-dibutylethane-1,1-diamine
SMILESCCCCN(CCCC)C(C)N
InChIInChI=1S/C10H24N2/c1-4-6-8-12(10(3)11)9-7-5-2/h10H,4-9,11H2,1-3H3
InChIKeyZZKZNQALFCKGMG-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.19
Rot. Bonds7

About 1-N',1-N'-dibutylethane-1,1-diamine

1-N',1-N'-dibutylethane-1,1-diamine (PubChem CID 22600656) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N',1-N'-dibutylethane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dibutylethane-1,1-diamine
PubChem CID22600656
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N',1-N'-dibutylethane-1,1-diamine
SMILESCCCCN(CCCC)C(C)N
InChIInChI=1S/C10H24N2/c1-4-6-8-12(10(3)11)9-7-5-2/h10H,4-9,11H2,1-3H3
InChIKeyZZKZNQALFCKGMG-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dibutylpentane-2,4-diamine
CID 64708414
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
N,N-dibutylpentan-2-amine;hydrate
CID 172857272
1-N',1-N'-bis(3-trimethoxysilylpropyl)ethane-1,1-diamine
CID 141251995
1-(dibutylamino)ethanesulfonamide
CID 87395686
1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine
CID 66453228
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
(2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine
CID 28983336
N,N-di(propan-2-yl)butan-1-amine
CID 11062646

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dibutylethane-1,1-diamine?
The IUPAC name of 1-N',1-N'-dibutylethane-1,1-diamine (CID 22600656) is 1-N',1-N'-dibutylethane-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dibutylethane-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dibutylethane-1,1-diamine is CCCCN(CCCC)C(C)N.
What is the InChIKey of 1-N',1-N'-dibutylethane-1,1-diamine?
The InChIKey is ZZKZNQALFCKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-6-8-12(10(3)11)9-7-5-2/h10H,4-9,11H2,1-3H3.
What are the key properties of 1-N',1-N'-dibutylethane-1,1-diamine?
1-N',1-N'-dibutylethane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.19, 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'-dibutylethane-1,1-diamine is sourced from PubChem (CID 22600656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).