ethane;3-ethyl-N,3-dimethylpentan-1-amine

C11H27N — CID 156646079

IUPACethane;3-ethyl-N,3-dimethylpentan-1-amine
SMILESCC.CCC(C)(CC)CCNC
InChIInChI=1S/C9H21N.C2H6/c1-5-9(3,6-2)7-8-10-4;1-2/h10H,5-8H2,1-4H3;1-2H3
InChIKeyOTJOKPBUBISLTQ-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.45
Rot. Bonds5

About ethane;3-ethyl-N,3-dimethylpentan-1-amine

ethane;3-ethyl-N,3-dimethylpentan-1-amine (PubChem CID 156646079) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is ethane;3-ethyl-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Nameethane;3-ethyl-N,3-dimethylpentan-1-amine
PubChem CID156646079
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Nameethane;3-ethyl-N,3-dimethylpentan-1-amine
SMILESCC.CCC(C)(CC)CCNC
InChIInChI=1S/C9H21N.C2H6/c1-5-9(3,6-2)7-8-10-4;1-2/h10H,5-8H2,1-4H3;1-2H3
InChIKeyOTJOKPBUBISLTQ-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

2-ethyl-N,N',2-trimethylbutane-1,4-diamine
CID 148591488
4-ethyl-N,4-dimethylhexan-1-amine
CID 123387563
ethane;3-ethyl-3-methylpentane
CID 158904304
2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine
CID 130640163
N,3,3,4,4-pentamethylpentan-1-amine
CID 81022686
1-N,3-N,3-trimethylhexane-1,3-diamine
CID 123347800
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
(Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine
CID 139423571
N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide
CID 142248002
3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 143118699
N,3-diethyl-3-methylhexan-1-amine
CID 163633802
N,3-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)butan-1-amine;ethane
CID 176944058

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-N,3-dimethylpentan-1-amine?
The IUPAC name of ethane;3-ethyl-N,3-dimethylpentan-1-amine (CID 156646079) is ethane;3-ethyl-N,3-dimethylpentan-1-amine.
What is the SMILES notation for ethane;3-ethyl-N,3-dimethylpentan-1-amine?
The canonical SMILES for ethane;3-ethyl-N,3-dimethylpentan-1-amine is CC.CCC(C)(CC)CCNC.
What is the InChIKey of ethane;3-ethyl-N,3-dimethylpentan-1-amine?
The InChIKey is OTJOKPBUBISLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-5-9(3,6-2)7-8-10-4;1-2/h10H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;3-ethyl-N,3-dimethylpentan-1-amine?
ethane;3-ethyl-N,3-dimethylpentan-1-amine has a molecular weight of 173.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 156646079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).