N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine

C16H33N3 — CID 62654686

IUPACN,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCN1CCC(CNCC2(N(C)C)CCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-18(2)16(9-5-4-6-10-16)14-17-13-15-7-11-19(3)12-8-15/h15,17H,4-14H2,1-3H3
InChIKeyVVQZZGAQFVGWGG-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine

N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 62654686) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
PubChem CID62654686
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCN1CCC(CNCC2(N(C)C)CCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-18(2)16(9-5-4-6-10-16)14-17-13-15-7-11-19(3)12-8-15/h15,17H,4-14H2,1-3H3
InChIKeyVVQZZGAQFVGWGG-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
CID 54937597
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 107132507
tert-butyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]piperidine-1-carboxylate
CID 113239053
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115244179
N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915214
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087127
1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83114104
1-(azepan-1-yl)-2-[[1-(dimethylamino)cyclopentyl]methylamino]ethanone
CID 78915392
N-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915425
2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65495407

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine (CID 62654686) is N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine is CN1CCC(CNCC2(N(C)C)CCCCC2)CC1.
What is the InChIKey of N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is VVQZZGAQFVGWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-18(2)16(9-5-4-6-10-16)14-17-13-15-7-11-19(3)12-8-15/h15,17H,4-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62654686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).