N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine

C16H24N2O — CID 115245808

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNCC1(CNCc2ccc3c(c2)CCCO3)CCC1
InChIInChI=1S/C16H24N2O/c17-11-16(6-2-7-16)12-18-10-13-4-5-15-14(9-13)3-1-8-19-15/h4-5,9,18H,1-3,6-8,10-12,17H2
InChIKeyGHWMYAKPDMVYRT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.23
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine (PubChem CID 115245808) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
PubChem CID115245808
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNCC1(CNCc2ccc3c(c2)CCCO3)CCC1
InChIInChI=1S/C16H24N2O/c17-11-16(6-2-7-16)12-18-10-13-4-5-15-14(9-13)3-1-8-19-15/h4-5,9,18H,1-3,6-8,10-12,17H2
InChIKeyGHWMYAKPDMVYRT-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', '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
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
CID 116929348
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
CID 115258559
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 116929020
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanediamine
CID 115225690
1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine
CID 63022983
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol
CID 103848442
methyl 3-(3,4-dihydro-2H-chromen-6-ylmethylamino)propanoate
CID 115232397
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine (CID 115245808) is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine is NCC1(CNCc2ccc3c(c2)CCCO3)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The InChIKey is GHWMYAKPDMVYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-11-16(6-2-7-16)12-18-10-13-4-5-15-14(9-13)3-1-8-19-15/h4-5,9,18H,1-3,6-8,10-12,17H2.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine is sourced from PubChem (CID 115245808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).