N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine

C10H18N2 — CID 163681124

IUPACN-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine
SMILESCC1=NCC(C)=C1CNC(C)C
InChIInChI=1S/C10H18N2/c1-7(2)11-6-10-8(3)5-12-9(10)4/h7,11H,5-6H2,1-4H3
InChIKeyAHVOYRGRRSSLLZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.78
Rot. Bonds3

About N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine

N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine (PubChem CID 163681124) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine
PubChem CID163681124
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine
SMILESCC1=NCC(C)=C1CNC(C)C
InChIInChI=1S/C10H18N2/c1-7(2)11-6-10-8(3)5-12-9(10)4/h7,11H,5-6H2,1-4H3
InChIKeyAHVOYRGRRSSLLZ-UHFFFAOYSA-N
XLogP1.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethyl-2H-pyrrol-5-yl)-N-propan-2-ylpropan-2-amine
CID 58571054
2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine
CID 90161353
1-(5-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 123958867
(Z)-3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613749
3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613750
N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine
CID 129255826
N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine
CID 130217424
N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine
CID 130433850
N,4,5-trimethyl-1,2-dihydropyrrol-3-imine
CID 139338572
(5-Ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium
CID 149065720
(E)-1-N,1-N,4-N,3-tetramethyl-2-methyliminopent-3-ene-1,4-diamine
CID 156479712
4-Methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 159190298

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine (CID 163681124) is N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine is CC1=NCC(C)=C1CNC(C)C.
What is the InChIKey of N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine?
The InChIKey is AHVOYRGRRSSLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)11-6-10-8(3)5-12-9(10)4/h7,11H,5-6H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine?
N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2H-pyrrol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 163681124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).