N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride

C9H16Cl2N2O — CID 53350337

IUPACN-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.c1coc(CNC2CCNC2)c1
InChIInChI=1S/C9H14N2O.2ClH/c1-2-9(12-5-1)7-11-8-3-4-10-6-8;;/h1-2,5,8,10-11H,3-4,6-7H2;2*1H
InChIKeyYLWJNXOIFKQUAP-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.57
Rot. Bonds3

About N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride

N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 53350337) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
PubChem CID53350337
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC NameN-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.c1coc(CNC2CCNC2)c1
InChIInChI=1S/C9H14N2O.2ClH/c1-2-9(12-5-1)7-11-8-3-4-10-6-8;;/h1-2,5,8,10-11H,3-4,6-7H2;2*1H
InChIKeyYLWJNXOIFKQUAP-UHFFFAOYSA-N
XLogP1.57
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 115618478
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
2-(furan-2-yl)-1-[(3R)-pyrrolidin-3-yl]ethanol
CID 164662141
2-(furan-2-yl)-N-piperidin-4-ylacetamide
CID 110484596
N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 89348963
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
N-pyrrolidin-3-ylfuran-2-sulfonamide;hydrochloride
CID 120874642

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride (CID 53350337) is N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride is Cl.Cl.c1coc(CNC2CCNC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is YLWJNXOIFKQUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c1-2-9(12-5-1)7-11-8-3-4-10-6-8;;/h1-2,5,8,10-11H,3-4,6-7H2;2*1H.
What are the key properties of N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride?
N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 53350337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).