N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine

C16H30N2O — CID 104746452

IUPACN',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(CC1CC1)CC1CC1)C1CCOC1
InChIInChI=1S/C16H30N2O/c1-2-17-16(15-7-8-19-12-15)11-18(9-13-3-4-13)10-14-5-6-14/h13-17H,2-12H2,1H3
InChIKeyZJPZYWQNBBZWMO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.12
Rot. Bonds9

About N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine

N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104746452) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104746452
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(CC1CC1)CC1CC1)C1CCOC1
InChIInChI=1S/C16H30N2O/c1-2-17-16(15-7-8-19-12-15)11-18(9-13-3-4-13)10-14-5-6-14/h13-17H,2-12H2,1H3
InChIKeyZJPZYWQNBBZWMO-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913
N'-butan-2-yl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744742
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N'-cyclopentyl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448037
1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400
N-ethyl-N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744981
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine
CID 105147710

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104746452) is N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine is CCNC(CN(CC1CC1)CC1CC1)C1CCOC1.
What is the InChIKey of N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is ZJPZYWQNBBZWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-17-16(15-7-8-19-12-15)11-18(9-13-3-4-13)10-14-5-6-14/h13-17H,2-12H2,1H3.
What are the key properties of N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104746452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).