N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C14H30N2O — CID 106615615

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CCOC(C)(C)C)CC1CCCN1
InChIInChI=1S/C14H30N2O/c1-5-9-16(10-11-17-14(2,3)4)12-13-7-6-8-15-13/h13,15H,5-12H2,1-4H3
InChIKeyRBGJCMDSLPEMQM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106615615) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106615615
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CCOC(C)(C)C)CC1CCCN1
InChIInChI=1S/C14H30N2O/c1-5-9-16(10-11-17-14(2,3)4)12-13-7-6-8-15-13/h13,15H,5-12H2,1-4H3
InChIKeyRBGJCMDSLPEMQM-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 82954746
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
2-ethoxy-N-(2-ethoxyethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 82954745
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106615615) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(CCOC(C)(C)C)CC1CCCN1.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is RBGJCMDSLPEMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-9-16(10-11-17-14(2,3)4)12-13-7-6-8-15-13/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106615615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).