N-but-2-ynyl-4-methylpent-3-en-1-amine

C10H17N — CID 131227652

IUPACN-but-2-ynyl-4-methylpent-3-en-1-amine
SMILESCC#CCNCCC=C(C)C
InChIInChI=1S/C10H17N/c1-4-5-8-11-9-6-7-10(2)3/h7,11H,6,8-9H2,1-3H3
InChIKeyLLRICJDJGZIGTL-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.96
Rot. Bonds4

About N-but-2-ynyl-4-methylpent-3-en-1-amine

N-but-2-ynyl-4-methylpent-3-en-1-amine (PubChem CID 131227652) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-but-2-ynyl-4-methylpent-3-en-1-amine.

Molecular Properties

Compound NameN-but-2-ynyl-4-methylpent-3-en-1-amine
PubChem CID131227652
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-but-2-ynyl-4-methylpent-3-en-1-amine
SMILESCC#CCNCCC=C(C)C
InChIInChI=1S/C10H17N/c1-4-5-8-11-9-6-7-10(2)3/h7,11H,6,8-9H2,1-3H3
InChIKeyLLRICJDJGZIGTL-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-propylpent-3-en-1-amine
CID 62548656
N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine
CID 62311533
N,5-dimethylhex-4-en-1-amine;ethane
CID 145111229
1-(but-2-ynylamino)-2-methylpropan-2-ol
CID 65106731
8-bromo-2-methyloct-2-en-6-yne
CID 11745679
acetyl 2-(but-2-ynylamino)acetate
CID 88545045
ethane;N-(4-methylpent-3-enyl)pyrrolidin-2-amine
CID 142067750
2-methylhex-2-ene;oxalonitrile
CID 174896444
N-prop-1-en-2-ylbut-2-yn-1-amine
CID 118697903
8-methylnon-7-en-2-yn-1-ol
CID 130127240
(2E)-3,7-dimethyl(413C)octa-2,6-dienenitrile
CID 10796920
2-(but-2-ynylamino)-N-propylacetamide
CID 62311535

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-4-methylpent-3-en-1-amine?
The IUPAC name of N-but-2-ynyl-4-methylpent-3-en-1-amine (CID 131227652) is N-but-2-ynyl-4-methylpent-3-en-1-amine.
What is the SMILES notation for N-but-2-ynyl-4-methylpent-3-en-1-amine?
The canonical SMILES for N-but-2-ynyl-4-methylpent-3-en-1-amine is CC#CCNCCC=C(C)C.
What is the InChIKey of N-but-2-ynyl-4-methylpent-3-en-1-amine?
The InChIKey is LLRICJDJGZIGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-8-11-9-6-7-10(2)3/h7,11H,6,8-9H2,1-3H3.
What are the key properties of N-but-2-ynyl-4-methylpent-3-en-1-amine?
N-but-2-ynyl-4-methylpent-3-en-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-4-methylpent-3-en-1-amine is sourced from PubChem (CID 131227652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).