1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride

C13H21ClN2O — CID 115618478

IUPAC1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.c1coc(CNC2CCN(CC3CC3)C2)c1
InChIInChI=1S/C13H20N2O.ClH/c1-2-13(16-7-1)8-14-12-5-6-15(10-12)9-11-3-4-11;/h1-2,7,11-12,14H,3-6,8-10H2;1H
InChIKeyBDMWIRIECYDYDX-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.28
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride

1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 115618478) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
PubChem CID115618478
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.c1coc(CNC2CCN(CC3CC3)C2)c1
InChIInChI=1S/C13H20N2O.ClH/c1-2-13(16-7-1)8-14-12-5-6-15(10-12)9-11-3-4-11;/h1-2,7,11-12,14H,3-6,8-10H2;1H
InChIKeyBDMWIRIECYDYDX-UHFFFAOYSA-N
XLogP2.28
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
1-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 115618481
N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one
CID 115699429
N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53350337
N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine
CID 45222723
(2R,3aS,7aR)-6-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366977
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 24732704
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride (CID 115618478) is 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride is Cl.c1coc(CNC2CCN(CC3CC3)C2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is BDMWIRIECYDYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-2-13(16-7-1)8-14-12-5-6-15(10-12)9-11-3-4-11;/h1-2,7,11-12,14H,3-6,8-10H2;1H.
What are the key properties of 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride?
1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 115618478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).