N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine

C10H19N3 — CID 116905151

IUPACN,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
SMILESCN(C)C(CCCN)c1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-13(2)10(6-3-7-11)9-5-4-8-12-9/h4-5,8,10,12H,3,6-7,11H2,1-2H3
InChIKeyBNAXOOHNRDTDDH-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.36
Rot. Bonds5

About N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine

N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine (PubChem CID 116905151) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
PubChem CID116905151
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
SMILESCN(C)C(CCCN)c1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-13(2)10(6-3-7-11)9-5-4-8-12-9/h4-5,8,10,12H,3,6-7,11H2,1-2H3
InChIKeyBNAXOOHNRDTDDH-UHFFFAOYSA-N
XLogP1.36
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
CID 116910082
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CID 171201685
N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 82041457
2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol
CID 82040464
N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 112501179
4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol
CID 82041220
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
CID 116906796
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
2-(dimethylamino)-2-(1H-pyrrol-2-yl)ethanethioamide
CID 84758225
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 116948725
(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
CID 171221230

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine?
The IUPAC name of N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine (CID 116905151) is N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine?
The canonical SMILES for N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine is CN(C)C(CCCN)c1ccc[nH]1.
What is the InChIKey of N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine?
The InChIKey is BNAXOOHNRDTDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-13(2)10(6-3-7-11)9-5-4-8-12-9/h4-5,8,10,12H,3,6-7,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine?
N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine is sourced from PubChem (CID 116905151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).