N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine

C13H21NO — CID 107001178

IUPACN-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)C1CC1(C)C
InChIInChI=1S/C13H21NO/c1-4-7-14-12(10-9-13(10,2)3)11-6-5-8-15-11/h5-6,8,10,12,14H,4,7,9H2,1-3H3
InChIKeyAARMMTHTAKRTOR-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.37
Rot. Bonds5

About N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine

N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 107001178) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID107001178
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)C1CC1(C)C
InChIInChI=1S/C13H21NO/c1-4-7-14-12(10-9-13(10,2)3)11-6-5-8-15-11/h5-6,8,10,12,14H,4,7,9H2,1-3H3
InChIKeyAARMMTHTAKRTOR-UHFFFAOYSA-N
XLogP3.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
CID 79908966
methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate
CID 107001357
N-[2,3-dihydro-1-benzothiophen-3-yl(furan-2-yl)methyl]propan-1-amine
CID 105147042
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001092
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107561829
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069851
N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine
CID 65390247
1-(furan-2-yl)-N,2-dipropylpentan-1-amine
CID 82984685
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79080475
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001220
N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 107004989

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine (CID 107001178) is N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is AARMMTHTAKRTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-7-14-12(10-9-13(10,2)3)11-6-5-8-15-11/h5-6,8,10,12,14H,4,7,9H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107001178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).