N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine

C12H26N2O2 — CID 103539875

IUPACN-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCOC1CN(CCNCC(C)C)CC1OC
InChIInChI=1S/C12H26N2O2/c1-10(2)7-13-5-6-14-8-11(15-3)12(9-14)16-4/h10-13H,5-9H2,1-4H3
InChIKeyRSJMHKUPZFQWRR-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.58
Rot. Bonds7

About N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine

N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 103539875) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
PubChem CID103539875
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCOC1CN(CCNCC(C)C)CC1OC
InChIInChI=1S/C12H26N2O2/c1-10(2)7-13-5-6-14-8-11(15-3)12(9-14)16-4/h10-13H,5-9H2,1-4H3
InChIKeyRSJMHKUPZFQWRR-UHFFFAOYSA-N
XLogP0.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine
CID 103532423
2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 103540000
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine
CID 103503235
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-1-amine
CID 103539930
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine
CID 62411059
(3S,4S)-1-(2-bromoethyl)-3,4-dimethoxypyrrolidine
CID 57053898
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
N-methyl-1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]azetidin-3-amine
CID 142623048
4-(3,4-dimethoxypyrrolidin-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 103540134
6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
CID 102968223

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine (CID 103539875) is N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine is COC1CN(CCNCC(C)C)CC1OC.
What is the InChIKey of N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is RSJMHKUPZFQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)7-13-5-6-14-8-11(15-3)12(9-14)16-4/h10-13H,5-9H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103539875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).