N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C16H26N2O — CID 106604534

IUPACN-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccco1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-2-15(16-6-4-10-19-16)18(11-13-7-8-13)12-14-5-3-9-17-14/h4,6,10,13-15,17H,2-3,5,7-9,11-12H2,1H3
InChIKeyFBQBRIBGSDSCGB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.19
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106604534) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106604534
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccco1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-2-15(16-6-4-10-19-16)18(11-13-7-8-13)12-14-5-3-9-17-14/h4,6,10,13-15,17H,2-3,5,7-9,11-12H2,1H3
InChIKeyFBQBRIBGSDSCGB-UHFFFAOYSA-N
XLogP3.19
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602720
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604524
N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604775
(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 97162149
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 79715208
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402
N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603520
(1R)-1-(furan-2-yl)-2-[(2S)-pyrrolidin-2-yl]ethanol
CID 95975648
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106604476
N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604263

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106604534) is N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCC(c1ccco1)N(CC1CC1)CC1CCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is FBQBRIBGSDSCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-15(16-6-4-10-19-16)18(11-13-7-8-13)12-14-5-3-9-17-14/h4,6,10,13-15,17H,2-3,5,7-9,11-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 262.40 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-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106604534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).