N,2,3,5-tetramethylheptan-4-amine

C11H25N — CID 105017383

IUPACN,2,3,5-tetramethylheptan-4-amine
SMILESCCC(C)C(NC)C(C)C(C)C
InChIInChI=1S/C11H25N/c1-7-9(4)11(12-6)10(5)8(2)3/h8-12H,7H2,1-6H3
InChIKeyBBDJWSRXIDPISG-UHFFFAOYSA-N
MW171.33 g/mol
LogP2.91
Rot. Bonds5

About N,2,3,5-tetramethylheptan-4-amine

N,2,3,5-tetramethylheptan-4-amine (PubChem CID 105017383) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,2,3,5-tetramethylheptan-4-amine.

Molecular Properties

Compound NameN,2,3,5-tetramethylheptan-4-amine
PubChem CID105017383
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,2,3,5-tetramethylheptan-4-amine
SMILESCCC(C)C(NC)C(C)C(C)C
InChIInChI=1S/C11H25N/c1-7-9(4)11(12-6)10(5)8(2)3/h8-12H,7H2,1-6H3
InChIKeyBBDJWSRXIDPISG-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine
CID 89339327
(4S)-2,3,4-trimethylhexane
CID 58359072
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylpentane;ethane;methane
CID 143379754
2,3-dimethylpentane;N-methylpropan-1-amine
CID 162382755
N,4-dimethylhexan-3-amine
CID 63559808
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine
CID 116720118
1,1-diethoxy-N,3-dimethylbutan-2-amine
CID 12506255
cyclobutane;2,3-dimethylpentane
CID 145154125
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915

Frequently Asked Questions

What is the IUPAC name of N,2,3,5-tetramethylheptan-4-amine?
The IUPAC name of N,2,3,5-tetramethylheptan-4-amine (CID 105017383) is N,2,3,5-tetramethylheptan-4-amine.
What is the SMILES notation for N,2,3,5-tetramethylheptan-4-amine?
The canonical SMILES for N,2,3,5-tetramethylheptan-4-amine is CCC(C)C(NC)C(C)C(C)C.
What is the InChIKey of N,2,3,5-tetramethylheptan-4-amine?
The InChIKey is BBDJWSRXIDPISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-7-9(4)11(12-6)10(5)8(2)3/h8-12H,7H2,1-6H3.
What are the key properties of N,2,3,5-tetramethylheptan-4-amine?
N,2,3,5-tetramethylheptan-4-amine has a molecular weight of 171.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,5-tetramethylheptan-4-amine is sourced from PubChem (CID 105017383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).