N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine

C15H22N2O — CID 115244530

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
SMILESCNCC1(CNc2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C15H22N2O/c1-16-10-15(6-7-15)11-17-13-4-5-14-12(9-13)3-2-8-18-14/h4-5,9,16-17H,2-3,6-8,10-11H2,1H3
InChIKeyRGXRPNASAUGLML-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.42
Rot. Bonds5

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine (PubChem CID 115244530) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
PubChem CID115244530
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
SMILESCNCC1(CNc2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C15H22N2O/c1-16-10-15(6-7-15)11-17-13-4-5-14-12(9-13)3-2-8-18-14/h4-5,9,16-17H,2-3,6-8,10-11H2,1H3
InChIKeyRGXRPNASAUGLML-UHFFFAOYSA-N
XLogP2.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244745
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
CID 81412695
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132458
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
N-(piperazin-1-ylmethyl)-3,4-dihydro-2H-chromen-6-amine
CID 115229797
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115249248
4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
CID 116926125
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclopropane-1-carbonitrile
CID 115242014

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine (CID 115244530) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine is CNCC1(CNc2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is RGXRPNASAUGLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-10-15(6-7-15)11-17-13-4-5-14-12(9-13)3-2-8-18-14/h4-5,9,16-17H,2-3,6-8,10-11H2,1H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 246.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 115244530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).