4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine

C11H16N2 — CID 146365385

IUPAC4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine
SMILESCC(C)=C1C(CC2CC2)=CN=C1N
InChIInChI=1S/C11H16N2/c1-7(2)10-9(5-8-3-4-8)6-13-11(10)12/h6,8H,3-5H2,1-2H3,(H2,12,13)
InChIKeyXATHZFPREMQQFT-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.38
Rot. Bonds2

About 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine

4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine (PubChem CID 146365385) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine
PubChem CID146365385
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine
SMILESCC(C)=C1C(CC2CC2)=CN=C1N
InChIInChI=1S/C11H16N2/c1-7(2)10-9(5-8-3-4-8)6-13-11(10)12/h6,8H,3-5H2,1-2H3,(H2,12,13)
InChIKeyXATHZFPREMQQFT-UHFFFAOYSA-N
XLogP2.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine?
The IUPAC name of 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine (CID 146365385) is 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine?
The canonical SMILES for 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine is CC(C)=C1C(CC2CC2)=CN=C1N.
What is the InChIKey of 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine?
The InChIKey is XATHZFPREMQQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7(2)10-9(5-8-3-4-8)6-13-11(10)12/h6,8H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine?
4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine has a molecular weight of 176.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine is sourced from PubChem (CID 146365385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).