N-ethyldecan-3-amine;dihydrochloride

C12H29Cl2N — CID 175708733

IUPACN-ethyldecan-3-amine;dihydrochloride
SMILESCCCCCCCC(CC)NCC.Cl.Cl
InChIInChI=1S/C12H27N.2ClH/c1-4-7-8-9-10-11-12(5-2)13-6-3;;/h12-13H,4-11H2,1-3H3;2*1H
InChIKeyLMUWTNYASAULON-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.58
Rot. Bonds9

About N-ethyldecan-3-amine;dihydrochloride

N-ethyldecan-3-amine;dihydrochloride (PubChem CID 175708733) has the molecular formula C12H29Cl2N and a molecular weight of 258.28 g/mol. Its IUPAC name is N-ethyldecan-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-ethyldecan-3-amine;dihydrochloride
PubChem CID175708733
Molecular FormulaC12H29Cl2N
Molecular Weight258.28 g/mol
Exact Mass257.17
IUPAC NameN-ethyldecan-3-amine;dihydrochloride
SMILESCCCCCCCC(CC)NCC.Cl.Cl
InChIInChI=1S/C12H27N.2ClH/c1-4-7-8-9-10-11-12(5-2)13-6-3;;/h12-13H,4-11H2,1-3H3;2*1H
InChIKeyLMUWTNYASAULON-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.58
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-ethylnonan-3-amine
CID 60996683
N-ethyltetradecan-7-amine
CID 87847195
N-ethylhexadecan-4-amine
CID 63413885
N-ethyldecan-5-amine
CID 79405026
2-(ethylamino)nonan-1-ol
CID 61050713
N-tridecylpentadecan-3-amine
CID 88820168
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
N-ethyl-2-methyldodecan-4-amine
CID 63412709
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
N,5-diethylpentadecan-7-amine
CID 115806799
N-ethyl-2,2-dimethylhexadecan-4-amine
CID 63891733
2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
CID 79092822

Frequently Asked Questions

What is the IUPAC name of N-ethyldecan-3-amine;dihydrochloride?
The IUPAC name of N-ethyldecan-3-amine;dihydrochloride (CID 175708733) is N-ethyldecan-3-amine;dihydrochloride.
What is the SMILES notation for N-ethyldecan-3-amine;dihydrochloride?
The canonical SMILES for N-ethyldecan-3-amine;dihydrochloride is CCCCCCCC(CC)NCC.Cl.Cl.
What is the InChIKey of N-ethyldecan-3-amine;dihydrochloride?
The InChIKey is LMUWTNYASAULON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.2ClH/c1-4-7-8-9-10-11-12(5-2)13-6-3;;/h12-13H,4-11H2,1-3H3;2*1H.
What are the key properties of N-ethyldecan-3-amine;dihydrochloride?
N-ethyldecan-3-amine;dihydrochloride has a molecular weight of 258.28 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyldecan-3-amine;dihydrochloride is sourced from PubChem (CID 175708733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).