ethane;N,N,5-trimethylhexan-2-amine

C11H27N — CID 144654908

IUPACethane;N,N,5-trimethylhexan-2-amine
SMILESCC.CC(C)CCC(C)N(C)C
InChIInChI=1S/C9H21N.C2H6/c1-8(2)6-7-9(3)10(4)5;1-2/h8-9H,6-7H2,1-5H3;1-2H3
InChIKeyVJTQQTHOTXBBOO-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.40
Rot. Bonds4

About ethane;N,N,5-trimethylhexan-2-amine

ethane;N,N,5-trimethylhexan-2-amine (PubChem CID 144654908) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is ethane;N,N,5-trimethylhexan-2-amine.

Molecular Properties

Compound Nameethane;N,N,5-trimethylhexan-2-amine
PubChem CID144654908
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Nameethane;N,N,5-trimethylhexan-2-amine
SMILESCC.CC(C)CCC(C)N(C)C
InChIInChI=1S/C9H21N.C2H6/c1-8(2)6-7-9(3)10(4)5;1-2/h8-9H,6-7H2,1-5H3;1-2H3
InChIKeyVJTQQTHOTXBBOO-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
CID 148926186
6-N,6-N-dimethyl-1-N,1-N-bis(2-methylpropyl)heptane-1,6-diamine
CID 87338569
1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 57251767
1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 143778680
but-1-ene;N,N-dimethylpentan-2-amine;ethane
CID 145343513
ethane;2-methylpentane
CID 143713716
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N-[5-(dimethylamino)hexan-2-yl]acetamide
CID 59721263
1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine
CID 87965126
propane;N,N,3-trimethylbutan-1-amine
CID 144828505

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,5-trimethylhexan-2-amine?
The IUPAC name of ethane;N,N,5-trimethylhexan-2-amine (CID 144654908) is ethane;N,N,5-trimethylhexan-2-amine.
What is the SMILES notation for ethane;N,N,5-trimethylhexan-2-amine?
The canonical SMILES for ethane;N,N,5-trimethylhexan-2-amine is CC.CC(C)CCC(C)N(C)C.
What is the InChIKey of ethane;N,N,5-trimethylhexan-2-amine?
The InChIKey is VJTQQTHOTXBBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-8(2)6-7-9(3)10(4)5;1-2/h8-9H,6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;N,N,5-trimethylhexan-2-amine?
ethane;N,N,5-trimethylhexan-2-amine has a molecular weight of 173.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,5-trimethylhexan-2-amine is sourced from PubChem (CID 144654908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).