N-ethylpropan-1-amine;2-methylpentane

C11H27N — CID 171506483

IUPACN-ethylpropan-1-amine;2-methylpentane
SMILESCCCC(C)C.CCCNCC
InChIInChI=1S/C6H14.C5H13N/c1-4-5-6(2)3;1-3-5-6-4-2/h6H,4-5H2,1-3H3;6H,3-5H2,1-2H3
InChIKeyKIUFYDDRUGXXSY-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.45
Rot. Bonds5

About N-ethylpropan-1-amine;2-methylpentane

N-ethylpropan-1-amine;2-methylpentane (PubChem CID 171506483) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is N-ethylpropan-1-amine;2-methylpentane.

Molecular Properties

Compound NameN-ethylpropan-1-amine;2-methylpentane
PubChem CID171506483
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC NameN-ethylpropan-1-amine;2-methylpentane
SMILESCCCC(C)C.CCCNCC
InChIInChI=1S/C6H14.C5H13N/c1-4-5-6(2)3;1-3-5-6-4-2/h6H,4-5H2,1-3H3;6H,3-5H2,1-2H3
InChIKeyKIUFYDDRUGXXSY-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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-ethyl-3-methyl-N'-propylpentane-1,5-diamine
CID 163901497
2-methylpentane
CID 7892
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
azane;2-methylpentane
CID 18347292
ethane;2-methylpentane
CID 143713716
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
5-methyl-N,2-dipropylhexan-1-amine
CID 63497105
N-ethylpropan-1-amine;methanethiol;propane
CID 143432965
N,N-dimethylmethanamine;N-ethylpropan-1-amine
CID 118663401
ethane;N-ethylpropan-1-amine;molecular hydrogen
CID 153336858
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269

Frequently Asked Questions

What is the IUPAC name of N-ethylpropan-1-amine;2-methylpentane?
The IUPAC name of N-ethylpropan-1-amine;2-methylpentane (CID 171506483) is N-ethylpropan-1-amine;2-methylpentane.
What is the SMILES notation for N-ethylpropan-1-amine;2-methylpentane?
The canonical SMILES for N-ethylpropan-1-amine;2-methylpentane is CCCC(C)C.CCCNCC.
What is the InChIKey of N-ethylpropan-1-amine;2-methylpentane?
The InChIKey is KIUFYDDRUGXXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H13N/c1-4-5-6(2)3;1-3-5-6-4-2/h6H,4-5H2,1-3H3;6H,3-5H2,1-2H3.
What are the key properties of N-ethylpropan-1-amine;2-methylpentane?
N-ethylpropan-1-amine;2-methylpentane has a molecular weight of 173.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropan-1-amine;2-methylpentane is sourced from PubChem (CID 171506483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).