1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine

C19H41N3O — CID 170265972

IUPAC1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine
SMILESCCC(C)(CCN(C)[C@@H]1CCN(C(C)(C)C)C1)N(C)CCOC
InChIInChI=1S/C19H41N3O/c1-9-19(5,21(7)14-15-23-8)11-13-20(6)17-10-12-22(16-17)18(2,3)4/h17H,9-16H2,1-8H3/t17-,19?/m1/s1
InChIKeyYIWOSVXRGWRKLW-DUSLRRAJSA-N
MW327.56 g/mol
LogP2.93
Rot. Bonds9

About 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine

1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine (PubChem CID 170265972) has the molecular formula C19H41N3O and a molecular weight of 327.56 g/mol. Its IUPAC name is 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine
PubChem CID170265972
Molecular FormulaC19H41N3O
Molecular Weight327.56 g/mol
Exact Mass327.32
IUPAC Name1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine
SMILESCCC(C)(CCN(C)[C@@H]1CCN(C(C)(C)C)C1)N(C)CCOC
InChIInChI=1S/C19H41N3O/c1-9-19(5,21(7)14-15-23-8)11-13-20(6)17-10-12-22(16-17)18(2,3)4/h17H,9-16H2,1-8H3/t17-,19?/m1/s1
InChIKeyYIWOSVXRGWRKLW-DUSLRRAJSA-N
XLogP2.93
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine (CID 170265972) is 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine is CCC(C)(CCN(C)[C@@H]1CCN(C(C)(C)C)C1)N(C)CCOC.
What is the InChIKey of 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine?
The InChIKey is YIWOSVXRGWRKLW-DUSLRRAJSA-N. The full InChI is InChI=1S/C19H41N3O/c1-9-19(5,21(7)14-15-23-8)11-13-20(6)17-10-12-22(16-17)18(2,3)4/h17H,9-16H2,1-8H3/t17-,19?/m1/s1.
What are the key properties of 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine?
1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine has a molecular weight of 327.56 g/mol, XLogP of 2.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine is sourced from PubChem (CID 170265972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).