N-prop-2-enylhex-1-yn-3-amine

C9H15N — CID 106229885

IUPACN-prop-2-enylhex-1-yn-3-amine
SMILESC#CC(CCC)NCC=C
InChIInChI=1S/C9H15N/c1-4-7-9(6-3)10-8-5-2/h3,5,9-10H,2,4,7-8H2,1H3
InChIKeyDEKXNBJFGUBLHK-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.56
Rot. Bonds5

About N-prop-2-enylhex-1-yn-3-amine

N-prop-2-enylhex-1-yn-3-amine (PubChem CID 106229885) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-prop-2-enylhex-1-yn-3-amine.

Molecular Properties

Compound NameN-prop-2-enylhex-1-yn-3-amine
PubChem CID106229885
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-prop-2-enylhex-1-yn-3-amine
SMILESC#CC(CCC)NCC=C
InChIInChI=1S/C9H15N/c1-4-7-9(6-3)10-8-5-2/h3,5,9-10H,2,4,7-8H2,1H3
InChIKeyDEKXNBJFGUBLHK-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)hex-1-yn-3-amine
CID 107234224
methyl (Z)-2-ethyl-4-(hex-1-yn-3-ylamino)but-2-enoate
CID 106231927
N-hex-1-yn-3-yldecan-1-amine
CID 106226428
N-hex-1-yn-3-yloctan-1-amine
CID 106225987
1-(prop-2-enylamino)butan-1-ol;hydrochloride
CID 174837372
N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106226213
N-prop-2-enylheptan-3-amine
CID 63946261
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
N-pentan-2-ylhex-1-yn-3-amine
CID 106226440
4-ethylsulfanyl-2-(prop-2-enylamino)butanenitrile
CID 116504311
N-prop-2-enylundecan-6-amine
CID 43755395
N-[2-(3-methylbutoxy)ethyl]hex-1-yn-3-amine
CID 106229882

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylhex-1-yn-3-amine?
The IUPAC name of N-prop-2-enylhex-1-yn-3-amine (CID 106229885) is N-prop-2-enylhex-1-yn-3-amine.
What is the SMILES notation for N-prop-2-enylhex-1-yn-3-amine?
The canonical SMILES for N-prop-2-enylhex-1-yn-3-amine is C#CC(CCC)NCC=C.
What is the InChIKey of N-prop-2-enylhex-1-yn-3-amine?
The InChIKey is DEKXNBJFGUBLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7-9(6-3)10-8-5-2/h3,5,9-10H,2,4,7-8H2,1H3.
What are the key properties of N-prop-2-enylhex-1-yn-3-amine?
N-prop-2-enylhex-1-yn-3-amine has a molecular weight of 137.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylhex-1-yn-3-amine is sourced from PubChem (CID 106229885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).