1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine

C15H18N4 — CID 159940003

IUPAC1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine
SMILESC1=CN=C(CN(CC2=NC=CC2)CC2=NC=CC2)C1
InChIInChI=1S/C15H18N4/c1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15/h1-3,7-9H,4-6,10-12H2
InChIKeyHNXJIQQCLPPUPL-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.36
Rot. Bonds6

About 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine

1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine (PubChem CID 159940003) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine
PubChem CID159940003
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine
SMILESC1=CN=C(CN(CC2=NC=CC2)CC2=NC=CC2)C1
InChIInChI=1S/C15H18N4/c1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15/h1-3,7-9H,4-6,10-12H2
InChIKeyHNXJIQQCLPPUPL-UHFFFAOYSA-N
XLogP2.36
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57244631
1,3,5-tris(prop-2-enyl)-2H-pyrazine
CID 175714929
1-butyl-2-methyl-3H-pyrrol-1-ium
CID 158214551

Frequently Asked Questions

What is the IUPAC name of 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine?
The IUPAC name of 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine (CID 159940003) is 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine is C1=CN=C(CN(CC2=NC=CC2)CC2=NC=CC2)C1.
What is the InChIKey of 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine?
The InChIKey is HNXJIQQCLPPUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15/h1-3,7-9H,4-6,10-12H2.
What are the key properties of 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine?
1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine has a molecular weight of 254.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine is sourced from PubChem (CID 159940003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).