N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine

C12H20N2 — CID 135003191

IUPACN-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1CC(C)=CN1CC=C
InChIInChI=1S/C12H20N2/c1-4-6-13-9-12-8-11(3)10-14(12)7-5-2/h4-5,10,12-13H,1-2,6-9H2,3H3
InChIKeyRLAZYWWUNYBUGC-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.93
Rot. Bonds6

About N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine

N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine (PubChem CID 135003191) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine
PubChem CID135003191
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1CC(C)=CN1CC=C
InChIInChI=1S/C12H20N2/c1-4-6-13-9-12-8-11(3)10-14(12)7-5-2/h4-5,10,12-13H,1-2,6-9H2,3H3
InChIKeyRLAZYWWUNYBUGC-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine (CID 135003191) is N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine is C=CCNCC1CC(C)=CN1CC=C.
What is the InChIKey of N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is RLAZYWWUNYBUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-6-13-9-12-8-11(3)10-14(12)7-5-2/h4-5,10,12-13H,1-2,6-9H2,3H3.
What are the key properties of N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine?
N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 135003191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).