N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine

C20H34N4 — CID 145194433

IUPACN'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine
SMILESC=C(N(C)CCC(C)CCN)N1Cc2[nH]c(=C)/c(=C\C)c2CC1C
InChIInChI=1S/C20H34N4/c1-7-18-16(4)22-20-13-24(15(3)12-19(18)20)17(5)23(6)11-9-14(2)8-10-21/h7,14-15,22H,4-5,8-13,21H2,1-3,6H3/b18-7+
InChIKeyXPOWKLVKAIPXFB-CNHKJKLMSA-N
MW330.52 g/mol
LogP1.75
Rot. Bonds7

About N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine

N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine (PubChem CID 145194433) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine
PubChem CID145194433
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC NameN'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine
SMILESC=C(N(C)CCC(C)CCN)N1Cc2[nH]c(=C)/c(=C\C)c2CC1C
InChIInChI=1S/C20H34N4/c1-7-18-16(4)22-20-13-24(15(3)12-19(18)20)17(5)23(6)11-9-14(2)8-10-21/h7,14-15,22H,4-5,8-13,21H2,1-3,6H3/b18-7+
InChIKeyXPOWKLVKAIPXFB-CNHKJKLMSA-N
XLogP1.75
TPSA48.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine?
The IUPAC name of N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine (CID 145194433) is N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine.
What is the SMILES notation for N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine?
The canonical SMILES for N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine is C=C(N(C)CCC(C)CCN)N1Cc2[nH]c(=C)/c(=C\C)c2CC1C.
What is the InChIKey of N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine?
The InChIKey is XPOWKLVKAIPXFB-CNHKJKLMSA-N. The full InChI is InChI=1S/C20H34N4/c1-7-18-16(4)22-20-13-24(15(3)12-19(18)20)17(5)23(6)11-9-14(2)8-10-21/h7,14-15,22H,4-5,8-13,21H2,1-3,6H3/b18-7+.
What are the key properties of N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine?
N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine has a molecular weight of 330.52 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(3Z)-3-ethylidene-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]ethenyl]-N',3-dimethylpentane-1,5-diamine is sourced from PubChem (CID 145194433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).