N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine

C16H33N3O — CID 81475022

IUPACN,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine
SMILESCC(C)NCC1(CN2CC(C)C(N(C)C)C2)CCOC1
InChIInChI=1S/C16H33N3O/c1-13(2)17-10-16(6-7-20-12-16)11-19-8-14(3)15(9-19)18(4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyYGHFXESYBIIGAY-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.27
Rot. Bonds6

About N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine (PubChem CID 81475022) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine
PubChem CID81475022
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine
SMILESCC(C)NCC1(CN2CC(C)C(N(C)C)C2)CCOC1
InChIInChI=1S/C16H33N3O/c1-13(2)17-10-16(6-7-20-12-16)11-19-8-14(3)15(9-19)18(4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyYGHFXESYBIIGAY-UHFFFAOYSA-N
XLogP1.27
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine (CID 81475022) is N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine is CC(C)NCC1(CN2CC(C)C(N(C)C)C2)CCOC1.
What is the InChIKey of N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine?
The InChIKey is YGHFXESYBIIGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)17-10-16(6-7-20-12-16)11-19-8-14(3)15(9-19)18(4)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine has a molecular weight of 283.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81475022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).