1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine

C14H27N3 — CID 55039852

IUPAC1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1cccn1C
InChIInChI=1S/C14H27N3/c1-12(2)9-13(11-16(3)4)15-10-14-7-6-8-17(14)5/h6-8,12-13,15H,9-11H2,1-5H3
InChIKeyLURKNLAHVWWCAU-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.09
Rot. Bonds7

About 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine (PubChem CID 55039852) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine
PubChem CID55039852
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1cccn1C
InChIInChI=1S/C14H27N3/c1-12(2)9-13(11-16(3)4)15-10-14-7-6-8-17(14)5/h6-8,12-13,15H,9-11H2,1-5H3
InChIKeyLURKNLAHVWWCAU-UHFFFAOYSA-N
XLogP2.09
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine (CID 55039852) is 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine is CC(C)CC(CN(C)C)NCc1cccn1C.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine?
The InChIKey is LURKNLAHVWWCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(2)9-13(11-16(3)4)15-10-14-7-6-8-17(14)5/h6-8,12-13,15H,9-11H2,1-5H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 55039852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).