N,N-bis(prop-2-enyl)heptan-1-amine

C13H25N — CID 88561901

IUPACN,N-bis(prop-2-enyl)heptan-1-amine
SMILESC=CCN(CC=C)CCCCCCC
InChIInChI=1S/C13H25N/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h5-6H,2-4,7-13H2,1H3
InChIKeyHPLMOJKLLLDPIG-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.63
Rot. Bonds10

About N,N-bis(prop-2-enyl)heptan-1-amine

N,N-bis(prop-2-enyl)heptan-1-amine (PubChem CID 88561901) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)heptan-1-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)heptan-1-amine
PubChem CID88561901
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,N-bis(prop-2-enyl)heptan-1-amine
SMILESC=CCN(CC=C)CCCCCCC
InChIInChI=1S/C13H25N/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h5-6H,2-4,7-13H2,1H3
InChIKeyHPLMOJKLLLDPIG-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)heptan-1-amine?
The IUPAC name of N,N-bis(prop-2-enyl)heptan-1-amine (CID 88561901) is N,N-bis(prop-2-enyl)heptan-1-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)heptan-1-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)heptan-1-amine is C=CCN(CC=C)CCCCCCC.
What is the InChIKey of N,N-bis(prop-2-enyl)heptan-1-amine?
The InChIKey is HPLMOJKLLLDPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h5-6H,2-4,7-13H2,1H3.
What are the key properties of N,N-bis(prop-2-enyl)heptan-1-amine?
N,N-bis(prop-2-enyl)heptan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.63, 10 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)heptan-1-amine is sourced from PubChem (CID 88561901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).