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

C13H29N3O — CID 102991920

IUPACN'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C1(CN)CCCOC1
InChIInChI=1S/C13H29N3O/c1-4-16(9-6-8-15(2)3)13(11-14)7-5-10-17-12-13/h4-12,14H2,1-3H3
InChIKeyCKTIJJZMVUZROK-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds7

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

N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102991920) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102991920
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C1(CN)CCCOC1
InChIInChI=1S/C13H29N3O/c1-4-16(9-6-8-15(2)3)13(11-14)7-5-10-17-12-13/h4-12,14H2,1-3H3
InChIKeyCKTIJJZMVUZROK-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[3-(aminomethyl)-1,1-dioxothian-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991953
3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine
CID 107869481
N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 106872798
N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991942
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 114524598
4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide
CID 62004521
3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
CID 65078991
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102991920) is N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)C1(CN)CCCOC1.
What is the InChIKey of N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is CKTIJJZMVUZROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-16(9-6-8-15(2)3)13(11-14)7-5-10-17-12-13/h4-12,14H2,1-3H3.
What are the key properties of N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102991920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).