2-methylheptane;propan-2-amine;hydrochloride

C11H28ClN — CID 20975779

IUPAC2-methylheptane;propan-2-amine;hydrochloride
SMILESCC(C)N.CCCCCC(C)C.Cl
InChIInChI=1S/C8H18.C3H9N.ClH/c1-4-5-6-7-8(2)3;1-3(2)4;/h8H,4-7H2,1-3H3;3H,4H2,1-2H3;1H
InChIKeyXONUDOCDJGHAAM-UHFFFAOYSA-N
MW209.81 g/mol
LogP4.00
Rot. Bonds4

About 2-methylheptane;propan-2-amine;hydrochloride

2-methylheptane;propan-2-amine;hydrochloride (PubChem CID 20975779) has the molecular formula C11H28ClN and a molecular weight of 209.81 g/mol. Its IUPAC name is 2-methylheptane;propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methylheptane;propan-2-amine;hydrochloride
PubChem CID20975779
Molecular FormulaC11H28ClN
Molecular Weight209.81 g/mol
Exact Mass209.19
IUPAC Name2-methylheptane;propan-2-amine;hydrochloride
SMILESCC(C)N.CCCCCC(C)C.Cl
InChIInChI=1S/C8H18.C3H9N.ClH/c1-4-5-6-7-8(2)3;1-3(2)4;/h8H,4-7H2,1-3H3;3H,4H2,1-2H3;1H
InChIKeyXONUDOCDJGHAAM-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.81
LogP ≤ 54.00
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

mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
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2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
cobalt;2-methylheptane
CID 175521472
2-methyloctacosane
CID 519147
hydroxylamine;2-methylnonadecane
CID 87902402
lithium;hydride;2-methylheptane
CID 173040195
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749

Frequently Asked Questions

What is the IUPAC name of 2-methylheptane;propan-2-amine;hydrochloride?
The IUPAC name of 2-methylheptane;propan-2-amine;hydrochloride (CID 20975779) is 2-methylheptane;propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methylheptane;propan-2-amine;hydrochloride?
The canonical SMILES for 2-methylheptane;propan-2-amine;hydrochloride is CC(C)N.CCCCCC(C)C.Cl.
What is the InChIKey of 2-methylheptane;propan-2-amine;hydrochloride?
The InChIKey is XONUDOCDJGHAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C3H9N.ClH/c1-4-5-6-7-8(2)3;1-3(2)4;/h8H,4-7H2,1-3H3;3H,4H2,1-2H3;1H.
What are the key properties of 2-methylheptane;propan-2-amine;hydrochloride?
2-methylheptane;propan-2-amine;hydrochloride has a molecular weight of 209.81 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptane;propan-2-amine;hydrochloride is sourced from PubChem (CID 20975779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).