N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine

C12H23N3 — CID 58336988

IUPACN',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine
SMILESC=C1C=C(NCCN(C)C)CN1C(C)C
InChIInChI=1S/C12H23N3/c1-10(2)15-9-12(8-11(15)3)13-6-7-14(4)5/h8,10,13H,3,6-7,9H2,1-2,4-5H3
InChIKeyLMZSPRXQWXVHMM-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.26
Rot. Bonds5

About N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine (PubChem CID 58336988) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine
PubChem CID58336988
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine
SMILESC=C1C=C(NCCN(C)C)CN1C(C)C
InChIInChI=1S/C12H23N3/c1-10(2)15-9-12(8-11(15)3)13-6-7-14(4)5/h8,10,13H,3,6-7,9H2,1-2,4-5H3
InChIKeyLMZSPRXQWXVHMM-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine (CID 58336988) is N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine is C=C1C=C(NCCN(C)C)CN1C(C)C.
What is the InChIKey of N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine?
The InChIKey is LMZSPRXQWXVHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)15-9-12(8-11(15)3)13-6-7-14(4)5/h8,10,13H,3,6-7,9H2,1-2,4-5H3.
What are the key properties of N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 58336988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).