1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

C13H21NO — CID 115684793

IUPAC1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCc1ccoc1CNCC1(C(C)C)CC1
InChIInChI=1S/C13H21NO/c1-10(2)13(5-6-13)9-14-8-12-11(3)4-7-15-12/h4,7,10,14H,5-6,8-9H2,1-3H3
InChIKeyBIRIMWLRUIUNNQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.11
Rot. Bonds5

About 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (PubChem CID 115684793) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
PubChem CID115684793
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCc1ccoc1CNCC1(C(C)C)CC1
InChIInChI=1S/C13H21NO/c1-10(2)13(5-6-13)9-14-8-12-11(3)4-7-15-12/h4,7,10,14H,5-6,8-9H2,1-3H3
InChIKeyBIRIMWLRUIUNNQ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103724331
N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029
1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 115654205
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629674
2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
CID 104587012
1-(5-ethylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115697602
4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
CID 111468077
1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111466662
1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 104756480
1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
CID 115653950

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (CID 115684793) is 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is Cc1ccoc1CNCC1(C(C)C)CC1.
What is the InChIKey of 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The InChIKey is BIRIMWLRUIUNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)13(5-6-13)9-14-8-12-11(3)4-7-15-12/h4,7,10,14H,5-6,8-9H2,1-3H3.
What are the key properties of 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 115684793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).