N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine

C11H20N2 — CID 66409585

IUPACN-propyl-4-(1H-pyrrol-3-yl)butan-2-amine
SMILESCCCNC(C)CCc1cc[nH]c1
InChIInChI=1S/C11H20N2/c1-3-7-13-10(2)4-5-11-6-8-12-9-11/h6,8-10,12-13H,3-5,7H2,1-2H3
InChIKeyKYXNJXUWPALCBI-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.34
Rot. Bonds6

About N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine

N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine (PubChem CID 66409585) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-propyl-4-(1H-pyrrol-3-yl)butan-2-amine
PubChem CID66409585
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-propyl-4-(1H-pyrrol-3-yl)butan-2-amine
SMILESCCCNC(C)CCc1cc[nH]c1
InChIInChI=1S/C11H20N2/c1-3-7-13-10(2)4-5-11-6-8-12-9-11/h6,8-10,12-13H,3-5,7H2,1-2H3
InChIKeyKYXNJXUWPALCBI-UHFFFAOYSA-N
XLogP2.34
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-(1H-pyrrol-3-yl)butan-1-amine
CID 98013882
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717
2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol
CID 60881953
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
CID 112652633
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine
CID 115375289
6-phenyl-N-propylhexan-2-amine
CID 61485022
4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 79698312
4-(1-methylindol-3-yl)-N-propylbutan-2-amine
CID 107236535
4-(4-but-3-en-2-yloxyphenyl)-N-propylbutan-2-amine
CID 62389850

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine?
The IUPAC name of N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine (CID 66409585) is N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine.
What is the SMILES notation for N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine?
The canonical SMILES for N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine is CCCNC(C)CCc1cc[nH]c1.
What is the InChIKey of N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine?
The InChIKey is KYXNJXUWPALCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-7-13-10(2)4-5-11-6-8-12-9-11/h6,8-10,12-13H,3-5,7H2,1-2H3.
What are the key properties of N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine?
N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine has a molecular weight of 180.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine is sourced from PubChem (CID 66409585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).