N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine

C12H22N2 — CID 121450918

IUPACN-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)=CCC[C@@H](C)NC1=NCCC1
InChIInChI=1S/C12H22N2/c1-10(2)6-4-7-11(3)14-12-8-5-9-13-12/h6,11H,4-5,7-9H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyZOKLAMICWJTNDI-LLVKDONJSA-N
MW194.32 g/mol
LogP2.90
Rot. Bonds4

About N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 121450918) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID121450918
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)=CCC[C@@H](C)NC1=NCCC1
InChIInChI=1S/C12H22N2/c1-10(2)6-4-7-11(3)14-12-8-5-9-13-12/h6,11H,4-5,7-9H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyZOKLAMICWJTNDI-LLVKDONJSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine (CID 121450918) is N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine is CC(C)=CCC[C@@H](C)NC1=NCCC1.
What is the InChIKey of N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is ZOKLAMICWJTNDI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)6-4-7-11(3)14-12-8-5-9-13-12/h6,11H,4-5,7-9H2,1-3H3,(H,13,14)/t11-/m1/s1.
What are the key properties of N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 194.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 121450918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).