N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine

C13H29N3O — CID 55128531

IUPACN-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCN1CCCC1CN(C)C
InChIInChI=1S/C13H29N3O/c1-12(11-17-4)14-7-9-16-8-5-6-13(16)10-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyOBVAJTBFERGKGZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds8

About N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine

N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine (PubChem CID 55128531) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine
PubChem CID55128531
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCN1CCCC1CN(C)C
InChIInChI=1S/C13H29N3O/c1-12(11-17-4)14-7-9-16-8-5-6-13(16)10-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyOBVAJTBFERGKGZ-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine (CID 55128531) is N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine is COCC(C)NCCN1CCCC1CN(C)C.
What is the InChIKey of N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine?
The InChIKey is OBVAJTBFERGKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(11-17-4)14-7-9-16-8-5-6-13(16)10-15(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine?
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 55128531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).