4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine

C21H44N4O2 — CID 134515072

IUPAC4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine
SMILESCCCOC1CN(C(C)CCC(C)COC2CN(C(C)C)CC2N)CC1N
InChIInChI=1S/C21H44N4O2/c1-6-9-26-20-13-25(11-19(20)23)17(5)8-7-16(4)14-27-21-12-24(15(2)3)10-18(21)22/h15-21H,6-14,22-23H2,1-5H3
InChIKeyDUYUDEYYGJMIRR-UHFFFAOYSA-N
MW384.61 g/mol
LogP1.67
Rot. Bonds11

About 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine

4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 134515072) has the molecular formula C21H44N4O2 and a molecular weight of 384.61 g/mol. Its IUPAC name is 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine
PubChem CID134515072
Molecular FormulaC21H44N4O2
Molecular Weight384.61 g/mol
Exact Mass384.35
IUPAC Name4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine
SMILESCCCOC1CN(C(C)CCC(C)COC2CN(C(C)C)CC2N)CC1N
InChIInChI=1S/C21H44N4O2/c1-6-9-26-20-13-25(11-19(20)23)17(5)8-7-16(4)14-27-21-12-24(15(2)3)10-18(21)22/h15-21H,6-14,22-23H2,1-5H3
InChIKeyDUYUDEYYGJMIRR-UHFFFAOYSA-N
XLogP1.67
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine (CID 134515072) is 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine is CCCOC1CN(C(C)CCC(C)COC2CN(C(C)C)CC2N)CC1N.
What is the InChIKey of 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is DUYUDEYYGJMIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N4O2/c1-6-9-26-20-13-25(11-19(20)23)17(5)8-7-16(4)14-27-21-12-24(15(2)3)10-18(21)22/h15-21H,6-14,22-23H2,1-5H3.
What are the key properties of 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine?
4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 384.61 g/mol, XLogP of 1.67, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 134515072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).