N,3-dimethylpentan-1-amine;ethane

C11H29N — CID 142089517

IUPACN,3-dimethylpentan-1-amine;ethane
SMILESCC.CC.CCC(C)CCNC
InChIInChI=1S/C7H17N.2C2H6/c1-4-7(2)5-6-8-3;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyIAJIPDKRPSREOW-UHFFFAOYSA-N
MW175.36 g/mol
LogP3.69
Rot. Bonds4

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

N,3-dimethylpentan-1-amine;ethane (PubChem CID 142089517) has the molecular formula C11H29N and a molecular weight of 175.36 g/mol. Its IUPAC name is N,3-dimethylpentan-1-amine;ethane.

Molecular Properties

Compound NameN,3-dimethylpentan-1-amine;ethane
PubChem CID142089517
Molecular FormulaC11H29N
Molecular Weight175.36 g/mol
Exact Mass175.23
IUPAC NameN,3-dimethylpentan-1-amine;ethane
SMILESCC.CC.CCC(C)CCNC
InChIInChI=1S/C7H17N.2C2H6/c1-4-7(2)5-6-8-3;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyIAJIPDKRPSREOW-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
N,3,6-trimethylnonan-1-amine
CID 139316935
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
1-N,3-dimethylheptane-1,6-diamine;ethane
CID 145117681
N-methyl-2-(4-methylhexoxy)ethanamine
CID 138736664
N,3-dimethylnonan-1-amine
CID 81019354
N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine
CID 123518581
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
(3-methylpentylamino)methanethiol
CID 155346483
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778
(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine
CID 178044183

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpentan-1-amine;ethane?
The IUPAC name of N,3-dimethylpentan-1-amine;ethane (CID 142089517) is N,3-dimethylpentan-1-amine;ethane.
What is the SMILES notation for N,3-dimethylpentan-1-amine;ethane?
The canonical SMILES for N,3-dimethylpentan-1-amine;ethane is CC.CC.CCC(C)CCNC.
What is the InChIKey of N,3-dimethylpentan-1-amine;ethane?
The InChIKey is IAJIPDKRPSREOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.2C2H6/c1-4-7(2)5-6-8-3;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of N,3-dimethylpentan-1-amine;ethane?
N,3-dimethylpentan-1-amine;ethane has a molecular weight of 175.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpentan-1-amine;ethane is sourced from PubChem (CID 142089517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).