2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine

C14H26N2 — CID 66406832

IUPAC2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCC(C)Cn1ccc(CNCC(C)C)c1
InChIInChI=1S/C14H26N2/c1-5-13(4)10-16-7-6-14(11-16)9-15-8-12(2)3/h6-7,11-13,15H,5,8-10H2,1-4H3
InChIKeyCWVDKDFRMPZNSQ-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.28
Rot. Bonds7

About 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 66406832) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine
PubChem CID66406832
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCC(C)Cn1ccc(CNCC(C)C)c1
InChIInChI=1S/C14H26N2/c1-5-13(4)10-16-7-6-14(11-16)9-15-8-12(2)3/h6-7,11-13,15H,5,8-10H2,1-4H3
InChIKeyCWVDKDFRMPZNSQ-UHFFFAOYSA-N
XLogP3.28
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66404402
N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66404189
2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid
CID 79620778
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
2,2-dimethyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanenitrile
CID 66404601
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405412
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 103181735
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 104801282
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
CID 66406621
3-iodo-1-(2-methylbutyl)pyrrole
CID 118503998
ethyl 6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanoate
CID 66405802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine (CID 66406832) is 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine is CCC(C)Cn1ccc(CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is CWVDKDFRMPZNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-13(4)10-16-7-6-14(11-16)9-15-8-12(2)3/h6-7,11-13,15H,5,8-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66406832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).