N,N-bis(prop-2-enyl)pent-1-yn-3-amine

C11H17N — CID 45088777

IUPACN,N-bis(prop-2-enyl)pent-1-yn-3-amine
SMILESC#CC(CC)N(CC=C)CC=C
InChIInChI=1S/C11H17N/c1-5-9-12(10-6-2)11(7-3)8-4/h3,5-6,11H,1-2,8-10H2,4H3
InChIKeyVBMHMJPURYZXTL-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.07
Rot. Bonds6

About N,N-bis(prop-2-enyl)pent-1-yn-3-amine

N,N-bis(prop-2-enyl)pent-1-yn-3-amine (PubChem CID 45088777) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)pent-1-yn-3-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)pent-1-yn-3-amine
PubChem CID45088777
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,N-bis(prop-2-enyl)pent-1-yn-3-amine
SMILESC#CC(CC)N(CC=C)CC=C
InChIInChI=1S/C11H17N/c1-5-9-12(10-6-2)11(7-3)8-4/h3,5-6,11H,1-2,8-10H2,4H3
InChIKeyVBMHMJPURYZXTL-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)pent-1-yn-3-amine?
The IUPAC name of N,N-bis(prop-2-enyl)pent-1-yn-3-amine (CID 45088777) is N,N-bis(prop-2-enyl)pent-1-yn-3-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)pent-1-yn-3-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)pent-1-yn-3-amine is C#CC(CC)N(CC=C)CC=C.
What is the InChIKey of N,N-bis(prop-2-enyl)pent-1-yn-3-amine?
The InChIKey is VBMHMJPURYZXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-5-9-12(10-6-2)11(7-3)8-4/h3,5-6,11H,1-2,8-10H2,4H3.
What are the key properties of N,N-bis(prop-2-enyl)pent-1-yn-3-amine?
N,N-bis(prop-2-enyl)pent-1-yn-3-amine has a molecular weight of 163.26 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)pent-1-yn-3-amine is sourced from PubChem (CID 45088777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).