N-prop-2-enylundecan-6-amine

C14H29N — CID 43755395

IUPACN-prop-2-enylundecan-6-amine
SMILESC=CCNC(CCCCC)CCCCC
InChIInChI=1S/C14H29N/c1-4-7-9-11-14(15-13-6-3)12-10-8-5-2/h6,14-15H,3-5,7-13H2,1-2H3
InChIKeyGPAVAJHXYJYIAX-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.29
Rot. Bonds11

About N-prop-2-enylundecan-6-amine

N-prop-2-enylundecan-6-amine (PubChem CID 43755395) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-prop-2-enylundecan-6-amine.

Molecular Properties

Compound NameN-prop-2-enylundecan-6-amine
PubChem CID43755395
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-prop-2-enylundecan-6-amine
SMILESC=CCNC(CCCCC)CCCCC
InChIInChI=1S/C14H29N/c1-4-7-9-11-14(15-13-6-3)12-10-8-5-2/h6,14-15H,3-5,7-13H2,1-2H3
InChIKeyGPAVAJHXYJYIAX-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.29
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'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylundecan-6-amine?
The IUPAC name of N-prop-2-enylundecan-6-amine (CID 43755395) is N-prop-2-enylundecan-6-amine.
What is the SMILES notation for N-prop-2-enylundecan-6-amine?
The canonical SMILES for N-prop-2-enylundecan-6-amine is C=CCNC(CCCCC)CCCCC.
What is the InChIKey of N-prop-2-enylundecan-6-amine?
The InChIKey is GPAVAJHXYJYIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-7-9-11-14(15-13-6-3)12-10-8-5-2/h6,14-15H,3-5,7-13H2,1-2H3.
What are the key properties of N-prop-2-enylundecan-6-amine?
N-prop-2-enylundecan-6-amine has a molecular weight of 211.39 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylundecan-6-amine is sourced from PubChem (CID 43755395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).