N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine

C14H29NO — CID 163967088

IUPACN-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine
SMILESCCCN(C)CC1CCC(OC(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-10-15(4)11-13-6-8-14(9-7-13)16-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeySMSYEXLHOIVDIH-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds6

About N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine

N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine (PubChem CID 163967088) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine
PubChem CID163967088
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine
SMILESCCCN(C)CC1CCC(OC(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-10-15(4)11-13-6-8-14(9-7-13)16-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeySMSYEXLHOIVDIH-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-Fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine
CID 171598511
2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine
CID 176558045
4-[[Ethyl(methyl)amino]methyl]cyclohexan-1-ol
CID 20707711
Carbanide;methyl-[2-(4-propoxycyclohexyl)ethyl]azanide;tungsten(2+)
CID 23395973
[4-[(Dimethylamino)methyl]cyclohexyl] formate
CID 57028434
[4-(Diethylaminomethyl)cyclohexyl] formate
CID 57097650
trans-Ethyl(4-methoxycyclohexylmethyl)amine
CID 57617624
N-ethyl-N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)ethanamine
CID 57647826
Cyclohexylmethyl-ethyl-(5-methoxypentyl)-methylazanium
CID 57932037
1,4-Dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
CID 58903063
N-methyl-1-(4-propoxycyclohexyl)methanamine
CID 59107084
N,N-dimethyl-4-(propan-2-yloxymethyl)cyclohexan-1-amine
CID 68034809

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine (CID 163967088) is N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine is CCCN(C)CC1CCC(OC(C)C)CC1.
What is the InChIKey of N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine?
The InChIKey is SMSYEXLHOIVDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-10-15(4)11-13-6-8-14(9-7-13)16-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine?
N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 163967088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).