4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine

C16H21N3 — CID 70673464

IUPAC4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine
SMILESC=C1N=CC(C(N)=C2CC2)=C1N/C(=C\CC)C1CC1
InChIInChI=1S/C16H21N3/c1-3-4-14(11-5-6-11)19-16-10(2)18-9-13(16)15(17)12-7-8-12/h4,9,11,19H,2-3,5-8,17H2,1H3/b14-4-
InChIKeyHDGTYGHRNXUFIU-CPSFFCFKSA-N
MW255.36 g/mol
LogP3.14
Rot. Bonds5

About 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine

4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine (PubChem CID 70673464) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine.

Molecular Properties

Compound Name4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine
PubChem CID70673464
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine
SMILESC=C1N=CC(C(N)=C2CC2)=C1N/C(=C\CC)C1CC1
InChIInChI=1S/C16H21N3/c1-3-4-14(11-5-6-11)19-16-10(2)18-9-13(16)15(17)12-7-8-12/h4,9,11,19H,2-3,5-8,17H2,1H3/b14-4-
InChIKeyHDGTYGHRNXUFIU-CPSFFCFKSA-N
XLogP3.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine?
The IUPAC name of 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine (CID 70673464) is 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine.
What is the SMILES notation for 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine?
The canonical SMILES for 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine is C=C1N=CC(C(N)=C2CC2)=C1N/C(=C\CC)C1CC1.
What is the InChIKey of 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine?
The InChIKey is HDGTYGHRNXUFIU-CPSFFCFKSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-4-14(11-5-6-11)19-16-10(2)18-9-13(16)15(17)12-7-8-12/h4,9,11,19H,2-3,5-8,17H2,1H3/b14-4-.
What are the key properties of 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine?
4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine has a molecular weight of 255.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine is sourced from PubChem (CID 70673464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).