N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine

C14H28N2O — CID 55241855

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
SMILESCC(C)N(CC1CC1)CC1(CN)CCCOC1
InChIInChI=1S/C14H28N2O/c1-12(2)16(8-13-4-5-13)10-14(9-15)6-3-7-17-11-14/h12-13H,3-11,15H2,1-2H3
InChIKeyGRLYJYMBNNCKJL-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds6

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine (PubChem CID 55241855) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
PubChem CID55241855
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
SMILESCC(C)N(CC1CC1)CC1(CN)CCCOC1
InChIInChI=1S/C14H28N2O/c1-12(2)16(8-13-4-5-13)10-14(9-15)6-3-7-17-11-14/h12-13H,3-11,15H2,1-2H3
InChIKeyGRLYJYMBNNCKJL-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62260390
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62260391
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63742117
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 63741378
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62258482
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63747612
N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62260375
N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741893
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol
CID 63740897

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine (CID 55241855) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine is CC(C)N(CC1CC1)CC1(CN)CCCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine?
The InChIKey is GRLYJYMBNNCKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)16(8-13-4-5-13)10-14(9-15)6-3-7-17-11-14/h12-13H,3-11,15H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine is sourced from PubChem (CID 55241855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).