1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine

C13H28N2O — CID 114525846

IUPAC1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine
SMILESCN(C)CCCOCC1(N)CCCCCC1
InChIInChI=1S/C13H28N2O/c1-15(2)10-7-11-16-12-13(14)8-5-3-4-6-9-13/h3-12,14H2,1-2H3
InChIKeyHNDBPDZKJLACTH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.01
Rot. Bonds6

About 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine

1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine (PubChem CID 114525846) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine
PubChem CID114525846
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine
SMILESCN(C)CCCOCC1(N)CCCCCC1
InChIInChI=1S/C13H28N2O/c1-15(2)10-7-11-16-12-13(14)8-5-3-4-6-9-13/h3-12,14H2,1-2H3
InChIKeyHNDBPDZKJLACTH-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethoxymethyl]cycloheptan-1-amine
CID 64549368
1-(pentoxymethyl)cyclohexan-1-amine
CID 64572474
1-(2-butoxyethoxymethyl)cycloheptan-1-amine
CID 64548962
1-[3-(dimethylamino)propyl]cyclohexan-1-amine
CID 115074301
3-[(1-aminocyclopentyl)methoxy]propan-1-ol
CID 106938228
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine
CID 112590376
5-[(1-aminocyclopentyl)methoxy]pentanenitrile
CID 64572441
1-(pent-3-ynoxymethyl)cyclohexan-1-amine
CID 104808636
1-(2-propan-2-ylsulfonylethoxymethyl)cycloheptan-1-amine
CID 106726951
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine (CID 114525846) is 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine is CN(C)CCCOCC1(N)CCCCCC1.
What is the InChIKey of 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine?
The InChIKey is HNDBPDZKJLACTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-15(2)10-7-11-16-12-13(14)8-5-3-4-6-9-13/h3-12,14H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine?
1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 114525846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).