N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine

C17H32N4 — CID 79061796

IUPACN,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccnc1C(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H32N4/c1-6-12-21-13-11-19-16(21)15(18-3)17(20(4)5)9-7-14(2)8-10-17/h11,13-15,18H,6-10,12H2,1-5H3
InChIKeyUCSQFCZYRKWQQN-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.06
Rot. Bonds6

About N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine

N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79061796) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID79061796
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccnc1C(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H32N4/c1-6-12-21-13-11-19-16(21)15(18-3)17(20(4)5)9-7-14(2)8-10-17/h11,13-15,18H,6-10,12H2,1-5H3
InChIKeyUCSQFCZYRKWQQN-UHFFFAOYSA-N
XLogP3.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 79064561
1-(1-ethylcyclopentyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 115858981
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
CID 79074735
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65332085
1-[2-(1-ethylimidazol-2-yl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79752550
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
N-methyl-1-(oxolan-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65328911
N-methyl-1-(3-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79762352
1-[1-hydroxy-2-(1-propylimidazol-2-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452429
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine (CID 79061796) is N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine is CCCn1ccnc1C(NC)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is UCSQFCZYRKWQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-12-21-13-11-19-16(21)15(18-3)17(20(4)5)9-7-14(2)8-10-17/h11,13-15,18H,6-10,12H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79061796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).