N,5-dimethyloctan-1-amine;ethane;molecular hydrogen

C14H37N — CID 142588186

IUPACN,5-dimethyloctan-1-amine;ethane;molecular hydrogen
SMILESCC.CC.CCCC(C)CCCCNC.[H][H]
InChIInChI=1S/C10H23N.2C2H6.H2/c1-4-7-10(2)8-5-6-9-11-3;2*1-2;/h10-11H,4-9H2,1-3H3;2*1-2H3;1H
InChIKeyNOHRXIPQXCUWNE-UHFFFAOYSA-N
MW219.46 g/mol
LogP5.11
Rot. Bonds7

About N,5-dimethyloctan-1-amine;ethane;molecular hydrogen

N,5-dimethyloctan-1-amine;ethane;molecular hydrogen (PubChem CID 142588186) has the molecular formula C14H37N and a molecular weight of 219.46 g/mol. Its IUPAC name is N,5-dimethyloctan-1-amine;ethane;molecular hydrogen.

Molecular Properties

Compound NameN,5-dimethyloctan-1-amine;ethane;molecular hydrogen
PubChem CID142588186
Molecular FormulaC14H37N
Molecular Weight219.46 g/mol
Exact Mass219.29
IUPAC NameN,5-dimethyloctan-1-amine;ethane;molecular hydrogen
SMILESCC.CC.CCCC(C)CCCCNC.[H][H]
InChIInChI=1S/C10H23N.2C2H6.H2/c1-4-7-10(2)8-5-6-9-11-3;2*1-2;/h10-11H,4-9H2,1-3H3;2*1-2H3;1H
InChIKeyNOHRXIPQXCUWNE-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,12-dimethylpentadecan-1-amine
CID 174486923
(5R)-N,5-dimethylnonan-1-amine
CID 130290865
ethane;molecular hydrogen;4,8,12,16-tetramethyltriacontane
CID 144669990
N,3,6-trimethylnonan-1-amine
CID 139316935
N,5-dimethylhexan-1-amine;ethane
CID 142540507
N,3-dimethylnonan-1-amine
CID 81019354
N,6-dimethylheptan-1-amine;ethane
CID 169159475
2,6,10,14,19,23-hexamethylhexacosane
CID 6428620
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
2,9,13-trimethylhexadecane
CID 123827297
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyloctan-1-amine;ethane;molecular hydrogen?
The IUPAC name of N,5-dimethyloctan-1-amine;ethane;molecular hydrogen (CID 142588186) is N,5-dimethyloctan-1-amine;ethane;molecular hydrogen.
What is the SMILES notation for N,5-dimethyloctan-1-amine;ethane;molecular hydrogen?
The canonical SMILES for N,5-dimethyloctan-1-amine;ethane;molecular hydrogen is CC.CC.CCCC(C)CCCCNC.[H][H].
What is the InChIKey of N,5-dimethyloctan-1-amine;ethane;molecular hydrogen?
The InChIKey is NOHRXIPQXCUWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.2C2H6.H2/c1-4-7-10(2)8-5-6-9-11-3;2*1-2;/h10-11H,4-9H2,1-3H3;2*1-2H3;1H.
What are the key properties of N,5-dimethyloctan-1-amine;ethane;molecular hydrogen?
N,5-dimethyloctan-1-amine;ethane;molecular hydrogen has a molecular weight of 219.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyloctan-1-amine;ethane;molecular hydrogen is sourced from PubChem (CID 142588186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).