N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine

C16H26N2O — CID 43319153

IUPACN'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)C2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-19-16-10-5-9-15(13-16)18(12-6-11-17)14-7-3-2-4-8-14/h5,9-10,13-14H,2-4,6-8,11-12,17H2,1H3
InChIKeyQJXGXSNFDOSLLU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.18
Rot. Bonds6

About N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine

N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine (PubChem CID 43319153) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
PubChem CID43319153
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)C2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-19-16-10-5-9-15(13-16)18(12-6-11-17)14-7-3-2-4-8-14/h5,9-10,13-14H,2-4,6-8,11-12,17H2,1H3
InChIKeyQJXGXSNFDOSLLU-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 82927448
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide
CID 105360435
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 69065368
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255
N'-cyclopentyl-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877562
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine (CID 43319153) is N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine is COc1cccc(N(CCCN)C2CCCCC2)c1.
What is the InChIKey of N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine?
The InChIKey is QJXGXSNFDOSLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-16-10-5-9-15(13-16)18(12-6-11-17)14-7-3-2-4-8-14/h5,9-10,13-14H,2-4,6-8,11-12,17H2,1H3.
What are the key properties of N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine?
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 43319153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).