N-but-3-en-2-ylhex-5-yn-1-amine

C10H17N — CID 106211402

IUPACN-but-3-en-2-ylhex-5-yn-1-amine
SMILESC#CCCCCNC(C)C=C
InChIInChI=1S/C10H17N/c1-4-6-7-8-9-11-10(3)5-2/h1,5,10-11H,2,6-9H2,3H3
InChIKeyTXXVHDPRMALULD-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.95
Rot. Bonds6

About N-but-3-en-2-ylhex-5-yn-1-amine

N-but-3-en-2-ylhex-5-yn-1-amine (PubChem CID 106211402) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-but-3-en-2-ylhex-5-yn-1-amine.

Molecular Properties

Compound NameN-but-3-en-2-ylhex-5-yn-1-amine
PubChem CID106211402
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-but-3-en-2-ylhex-5-yn-1-amine
SMILESC#CCCCCNC(C)C=C
InChIInChI=1S/C10H17N/c1-4-6-7-8-9-11-10(3)5-2/h1,5,10-11H,2,6-9H2,3H3
InChIKeyTXXVHDPRMALULD-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.95
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

N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine
CID 106209686
N-(1-cyclopentylethyl)hex-5-yn-1-amine
CID 115893745
N-(1-tert-butylsulfanylpropan-2-yl)hex-5-yn-1-amine
CID 115893719
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863
N-hex-5-ynylheptan-3-amine
CID 103903630
N-methylhept-6-yn-1-amine
CID 64502555
3-ethylnon-1-en-8-yne
CID 123457209
N-pent-4-ynylpentan-2-amine
CID 115724855
3-(pent-4-ynylamino)butanenitrile
CID 103711258
N-(3,3-difluoropropyl)but-3-en-2-amine
CID 130679907
N-[1-(4-chlorophenyl)ethyl]hex-5-yn-1-amine
CID 115693981
N-[1-(4-bromophenyl)ethyl]hex-5-yn-1-amine
CID 115693970

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-ylhex-5-yn-1-amine?
The IUPAC name of N-but-3-en-2-ylhex-5-yn-1-amine (CID 106211402) is N-but-3-en-2-ylhex-5-yn-1-amine.
What is the SMILES notation for N-but-3-en-2-ylhex-5-yn-1-amine?
The canonical SMILES for N-but-3-en-2-ylhex-5-yn-1-amine is C#CCCCCNC(C)C=C.
What is the InChIKey of N-but-3-en-2-ylhex-5-yn-1-amine?
The InChIKey is TXXVHDPRMALULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-7-8-9-11-10(3)5-2/h1,5,10-11H,2,6-9H2,3H3.
What are the key properties of N-but-3-en-2-ylhex-5-yn-1-amine?
N-but-3-en-2-ylhex-5-yn-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylhex-5-yn-1-amine is sourced from PubChem (CID 106211402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).