N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C15H26N2O — CID 106604775

IUPACN-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1CCCN1)C(C)c1ccco1
InChIInChI=1S/C15H26N2O/c1-3-4-10-17(12-14-7-5-9-16-14)13(2)15-8-6-11-18-15/h6,8,11,13-14,16H,3-5,7,9-10,12H2,1-2H3
InChIKeyZGJOTIDNAHVELQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.19
Rot. Bonds7

About N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106604775) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106604775
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1CCCN1)C(C)c1ccco1
InChIInChI=1S/C15H26N2O/c1-3-4-10-17(12-14-7-5-9-16-14)13(2)15-8-6-11-18-15/h6,8,11,13-14,16H,3-5,7,9-10,12H2,1-2H3
InChIKeyZGJOTIDNAHVELQ-UHFFFAOYSA-N
XLogP3.19
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604631
(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 97162149
N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604534
N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604748
1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602720
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604977
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604864
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616774
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106604775) is N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(CC1CCCN1)C(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is ZGJOTIDNAHVELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-10-17(12-14-7-5-9-16-14)13(2)15-8-6-11-18-15/h6,8,11,13-14,16H,3-5,7,9-10,12H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106604775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).