4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine

C11H20N2 — CID 130462380

IUPAC4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCCC(C)/C=C\C1=C(N)NCC1
InChIInChI=1S/C11H20N2/c1-3-4-9(2)5-6-10-7-8-13-11(10)12/h5-6,9,13H,3-4,7-8,12H2,1-2H3/b6-5-
InChIKeyRTRSPQJTUGCBAR-WAYWQWQTSA-N
MW180.29 g/mol
LogP2.14
Rot. Bonds4

About 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine

4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 130462380) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID130462380
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCCC(C)/C=C\C1=C(N)NCC1
InChIInChI=1S/C11H20N2/c1-3-4-9(2)5-6-10-7-8-13-11(10)12/h5-6,9,13H,3-4,7-8,12H2,1-2H3/b6-5-
InChIKeyRTRSPQJTUGCBAR-WAYWQWQTSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 130462380) is 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine is CCCC(C)/C=C\C1=C(N)NCC1.
What is the InChIKey of 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is RTRSPQJTUGCBAR-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-9(2)5-6-10-7-8-13-11(10)12/h5-6,9,13H,3-4,7-8,12H2,1-2H3/b6-5-.
What are the key properties of 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine?
4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 180.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 130462380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).