N,3-diethylpentan-1-amine;ethane

C11H27N — CID 145372093

IUPACN,3-diethylpentan-1-amine;ethane
SMILESCC.CCNCCC(CC)CC
InChIInChI=1S/C9H21N.C2H6/c1-4-9(5-2)7-8-10-6-3;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyIKPKQJPHDFPKCQ-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.45
Rot. Bonds6

About N,3-diethylpentan-1-amine;ethane

N,3-diethylpentan-1-amine;ethane (PubChem CID 145372093) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is N,3-diethylpentan-1-amine;ethane.

Molecular Properties

Compound NameN,3-diethylpentan-1-amine;ethane
PubChem CID145372093
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC NameN,3-diethylpentan-1-amine;ethane
SMILESCC.CCNCCC(CC)CC
InChIInChI=1S/C9H21N.C2H6/c1-4-9(5-2)7-8-10-6-3;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyIKPKQJPHDFPKCQ-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',2-diethylbutane-1,4-diamine
CID 81080470
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272
3,6-diethyloctane
CID 526424
3-ethyldodecane;bis(N-ethylethanamine)
CID 160952353
3-chloro-N-ethylbutan-1-amine
CID 65024849
2-ethyl-N'-propylbutane-1,4-diamine
CID 81080118
1-N,3-diethylpentane-1,4-diamine
CID 155203399
N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
CID 58965152
4-ethyl-N-methylhexan-1-amine;hydrochloride
CID 122164420
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]butane-1-thiol
CID 10129588
1-N-ethyl-3-N-methyl-3-N-pentan-3-ylbutane-1,3-diamine
CID 62434112

Frequently Asked Questions

What is the IUPAC name of N,3-diethylpentan-1-amine;ethane?
The IUPAC name of N,3-diethylpentan-1-amine;ethane (CID 145372093) is N,3-diethylpentan-1-amine;ethane.
What is the SMILES notation for N,3-diethylpentan-1-amine;ethane?
The canonical SMILES for N,3-diethylpentan-1-amine;ethane is CC.CCNCCC(CC)CC.
What is the InChIKey of N,3-diethylpentan-1-amine;ethane?
The InChIKey is IKPKQJPHDFPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-4-9(5-2)7-8-10-6-3;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of N,3-diethylpentan-1-amine;ethane?
N,3-diethylpentan-1-amine;ethane has a molecular weight of 173.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethylpentan-1-amine;ethane is sourced from PubChem (CID 145372093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).