4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline

C18H26N2 — CID 66412299

IUPAC4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1ccc(C(C)CC)cc1
InChIInChI=1S/C18H26N2/c1-4-12-20-13-6-7-18(20)14-19-17-10-8-16(9-11-17)15(3)5-2/h6-11,13,15,19H,4-5,12,14H2,1-3H3
InChIKeyKRBODYWOEMYMQP-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.02
Rot. Bonds7

About 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline

4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline (PubChem CID 66412299) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline
PubChem CID66412299
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1ccc(C(C)CC)cc1
InChIInChI=1S/C18H26N2/c1-4-12-20-13-6-7-18(20)14-19-17-10-8-16(9-11-17)15(3)5-2/h6-11,13,15,19H,4-5,12,14H2,1-3H3
InChIKeyKRBODYWOEMYMQP-UHFFFAOYSA-N
XLogP5.02
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethylsulfanyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66412293
1-methyl-3-[4-[(1-propylpyrrol-2-yl)methylamino]phenyl]urea
CID 66412531
1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one
CID 66410985
2-[4-[(1-propylpyrrol-2-yl)methylamino]phenoxy]acetonitrile
CID 66410713
4-butan-2-yl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117869
2-N,2-N-dimethyl-5-N-[(1-propylpyrrol-2-yl)methyl]pyridine-2,5-diamine
CID 66410551
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
4-methoxy-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411382
3-ethynyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410687
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410561

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline (CID 66412299) is 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline is CCCn1cccc1CNc1ccc(C(C)CC)cc1.
What is the InChIKey of 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The InChIKey is KRBODYWOEMYMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-12-20-13-6-7-18(20)14-19-17-10-8-16(9-11-17)15(3)5-2/h6-11,13,15,19H,4-5,12,14H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline has a molecular weight of 270.42 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 66412299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).