N,4-dimethylheptan-4-amine;ethane

C11H27N — CID 143105274

IUPACN,4-dimethylheptan-4-amine;ethane
SMILESCC.CCCC(C)(CCC)NC
InChIInChI=1S/C9H21N.C2H6/c1-5-7-9(3,10-4)8-6-2;1-2/h10H,5-8H2,1-4H3;1-2H3
InChIKeyAXPGYGDKPXRCJN-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.59
Rot. Bonds5

About N,4-dimethylheptan-4-amine;ethane

N,4-dimethylheptan-4-amine;ethane (PubChem CID 143105274) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is N,4-dimethylheptan-4-amine;ethane.

Molecular Properties

Compound NameN,4-dimethylheptan-4-amine;ethane
PubChem CID143105274
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC NameN,4-dimethylheptan-4-amine;ethane
SMILESCC.CCCC(C)(CCC)NC
InChIInChI=1S/C9H21N.C2H6/c1-5-7-9(3,10-4)8-6-2;1-2/h10H,5-8H2,1-4H3;1-2H3
InChIKeyAXPGYGDKPXRCJN-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N,3-trimethylhexane-1,3-diamine
CID 123347800
1-iodo-N,3-dimethylhexan-3-amine
CID 139482959
N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
4-methylheptan-4-ylhydrazine
CID 23030896
1-[(2S)-2-methyl-2-(methylamino)pentyl]azetidin-3-ol
CID 67811622
3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
N-tert-butyl-3-methylhexan-3-amine
CID 123793327
3-N,2,3-trimethylhexane-2,3-diamine
CID 142608976
N-(4-methylheptan-4-yl)formamide
CID 54483706
2,2-dimethylpentane;ethane;propane
CID 156751345
1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine
CID 123528580

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylheptan-4-amine;ethane?
The IUPAC name of N,4-dimethylheptan-4-amine;ethane (CID 143105274) is N,4-dimethylheptan-4-amine;ethane.
What is the SMILES notation for N,4-dimethylheptan-4-amine;ethane?
The canonical SMILES for N,4-dimethylheptan-4-amine;ethane is CC.CCCC(C)(CCC)NC.
What is the InChIKey of N,4-dimethylheptan-4-amine;ethane?
The InChIKey is AXPGYGDKPXRCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-5-7-9(3,10-4)8-6-2;1-2/h10H,5-8H2,1-4H3;1-2H3.
What are the key properties of N,4-dimethylheptan-4-amine;ethane?
N,4-dimethylheptan-4-amine;ethane has a molecular weight of 173.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylheptan-4-amine;ethane is sourced from PubChem (CID 143105274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).