N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine

C13H25NO2 — CID 65080084

IUPACN-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCC2COCCO2)CC1
InChIInChI=1S/C13H25NO2/c1-11-3-2-4-12(6-5-11)14-9-13-10-15-7-8-16-13/h11-14H,2-10H2,1H3
InChIKeyNHTSUCJRXBNKCH-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine

N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine (PubChem CID 65080084) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine
PubChem CID65080084
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCC2COCCO2)CC1
InChIInChI=1S/C13H25NO2/c1-11-3-2-4-12(6-5-11)14-9-13-10-15-7-8-16-13/h11-14H,2-10H2,1H3
InChIKeyNHTSUCJRXBNKCH-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dioxan-2-ylmethyl)oxepan-4-amine
CID 65081559
N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 61025093
trans-(1S,2S)-2-(1,4-dioxan-2-ylmethylamino)cyclopentan-1-ol
CID 102733169
N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
CID 115336009
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine
CID 107906675
[(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58R,62S,66R,70R)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
CID 162968158
N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241579
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine
CID 114100509
[56-(hydroxymethyl)-4,8,12,16,25,29,33,37,44,48,52,61,65,69-tetradecamethyl-19,22,55,58-tetraoxabicyclo[38.32.2]tetraheptacontan-20-yl]methanol
CID 171666156
2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide
CID 62783221

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine (CID 65080084) is N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine is CC1CCCC(NCC2COCCO2)CC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine?
The InChIKey is NHTSUCJRXBNKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11-3-2-4-12(6-5-11)14-9-13-10-15-7-8-16-13/h11-14H,2-10H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine?
N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).