N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H33N3O — CID 106872798

IUPACN'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C1(CN)CCCC(OC)C1
InChIInChI=1S/C15H33N3O/c1-5-18(11-7-10-17(2)3)15(13-16)9-6-8-14(12-15)19-4/h14H,5-13,16H2,1-4H3
InChIKeyZEUKDUQQTHITJL-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.55
Rot. Bonds8

About N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 106872798) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID106872798
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C1(CN)CCCC(OC)C1
InChIInChI=1S/C15H33N3O/c1-5-18(11-7-10-17(2)3)15(13-16)9-6-8-14(12-15)19-4/h14H,5-13,16H2,1-4H3
InChIKeyZEUKDUQQTHITJL-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
CID 106872186
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-3-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872349
N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991920
N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991942
N'-[3-(aminomethyl)-1,1-dioxothian-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991953
N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline
CID 106872410
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline
CID 106872402
1-(aminomethyl)-N-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190

Frequently Asked Questions

What is the IUPAC name of N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 106872798) is N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)C1(CN)CCCC(OC)C1.
What is the InChIKey of N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is ZEUKDUQQTHITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-5-18(11-7-10-17(2)3)15(13-16)9-6-8-14(12-15)19-4/h14H,5-13,16H2,1-4H3.
What are the key properties of N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 271.45 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 106872798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).