N-but-1-en-2-ylpentan-1-amine;ethane

C11H25N — CID 177233508

IUPACN-but-1-en-2-ylpentan-1-amine;ethane
SMILESC=C(CC)NCCCCC.CC
InChIInChI=1S/C9H19N.C2H6/c1-4-6-7-8-10-9(3)5-2;1-2/h10H,3-8H2,1-2H3;1-2H3
InChIKeyWZOODLVYDPNSAS-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.72
Rot. Bonds6

About N-but-1-en-2-ylpentan-1-amine;ethane

N-but-1-en-2-ylpentan-1-amine;ethane (PubChem CID 177233508) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-but-1-en-2-ylpentan-1-amine;ethane.

Molecular Properties

Compound NameN-but-1-en-2-ylpentan-1-amine;ethane
PubChem CID177233508
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-but-1-en-2-ylpentan-1-amine;ethane
SMILESC=C(CC)NCCCCC.CC
InChIInChI=1S/C9H19N.C2H6/c1-4-6-7-8-10-9(3)5-2;1-2/h10H,3-8H2,1-2H3;1-2H3
InChIKeyWZOODLVYDPNSAS-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.72
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-hexyloct-1-en-2-amine
CID 169110016
N-butylhept-1-en-2-amine
CID 170620308
3-N-heptadecyl-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 167073154
N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine
CID 134483816
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556
N-(1-phosphanylethenyl)butan-1-amine
CID 170236223
ethane;N-undecylpropanamide
CID 155706114
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 129308708
N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen
CID 156747368
(3S)-7-(dec-1-en-2-ylamino)-3-methylheptan-2-one
CID 163498407
ethane;6-methyl-1-N-tetracont-1-en-2-ylhept-6-ene-1,5-diamine
CID 162689305

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-ylpentan-1-amine;ethane?
The IUPAC name of N-but-1-en-2-ylpentan-1-amine;ethane (CID 177233508) is N-but-1-en-2-ylpentan-1-amine;ethane.
What is the SMILES notation for N-but-1-en-2-ylpentan-1-amine;ethane?
The canonical SMILES for N-but-1-en-2-ylpentan-1-amine;ethane is C=C(CC)NCCCCC.CC.
What is the InChIKey of N-but-1-en-2-ylpentan-1-amine;ethane?
The InChIKey is WZOODLVYDPNSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-4-6-7-8-10-9(3)5-2;1-2/h10H,3-8H2,1-2H3;1-2H3.
What are the key properties of N-but-1-en-2-ylpentan-1-amine;ethane?
N-but-1-en-2-ylpentan-1-amine;ethane has a molecular weight of 171.33 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-ylpentan-1-amine;ethane is sourced from PubChem (CID 177233508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).