N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine

C15H31N3O — CID 105414310

IUPACN'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)CC1(N(C)C)CCC1)C1CCOC1
InChIInChI=1S/C15H31N3O/c1-16-14(13-6-9-19-11-13)10-18(4)12-15(17(2)3)7-5-8-15/h13-14,16H,5-12H2,1-4H3
InChIKeyKYZDZODGPVYNPF-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds7

About N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine

N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 105414310) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID105414310
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)CC1(N(C)C)CCC1)C1CCOC1
InChIInChI=1S/C15H31N3O/c1-16-14(13-6-9-19-11-13)10-18(4)12-15(17(2)3)7-5-8-15/h13-14,16H,5-12H2,1-4H3
InChIKeyKYZDZODGPVYNPF-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745948
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 104744988
N'-[(2-fluorophenyl)methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745092
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103061010
N,N-dimethyl-1-[[1-(oxolan-3-yl)ethylamino]methyl]cyclopentan-1-amine
CID 115707728
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103061012
N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746836
N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745807
N,N-dimethyl-1-[methylamino(oxolan-3-yl)methyl]cyclopentan-1-amine
CID 79069983

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 105414310) is N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine is CNC(CN(C)CC1(N(C)C)CCC1)C1CCOC1.
What is the InChIKey of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is KYZDZODGPVYNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-16-14(13-6-9-19-11-13)10-18(4)12-15(17(2)3)7-5-8-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 105414310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).