N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen

C13H30N2 — CID 169213903

IUPACN-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen
SMILESCCCCN(C)C1CCC(CNC)CC1.[H][H]
InChIInChI=1S/C13H28N2.H2/c1-4-5-10-15(3)13-8-6-12(7-9-13)11-14-2;/h12-14H,4-11H2,1-3H3;1H
InChIKeyDIDYDTUEMBVOND-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds6

About N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen

N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen (PubChem CID 169213903) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen
PubChem CID169213903
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen
SMILESCCCCN(C)C1CCC(CNC)CC1.[H][H]
InChIInChI=1S/C13H28N2.H2/c1-4-5-10-15(3)13-8-6-12(7-9-13)11-14-2;/h12-14H,4-11H2,1-3H3;1H
InChIKeyDIDYDTUEMBVOND-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-methyl-N-pentylcyclobutanamine
CID 142562644
N-butyl-1-iodo-N-methylpiperidin-4-amine
CID 155472460
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
1-cyclopentyl-N-methylmethanamine;molecular hydrogen
CID 142969533
N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
CID 80998376
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen?
The IUPAC name of N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen (CID 169213903) is N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen.
What is the SMILES notation for N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen?
The canonical SMILES for N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen is CCCCN(C)C1CCC(CNC)CC1.[H][H].
What is the InChIKey of N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen?
The InChIKey is DIDYDTUEMBVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.H2/c1-4-5-10-15(3)13-8-6-12(7-9-13)11-14-2;/h12-14H,4-11H2,1-3H3;1H.
What are the key properties of N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen?
N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen has a molecular weight of 214.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen is sourced from PubChem (CID 169213903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).