N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine

C13H26N2O — CID 62261432

IUPACN-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC(C)NCC1(CN(C)C2CC2)CCOC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-13(6-7-16-10-13)9-15(3)12-4-5-12/h11-12,14H,4-10H2,1-3H3
InChIKeyTZBZWYBFLKPZKW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds6

About N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62261432) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62261432
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC(C)NCC1(CN(C)C2CC2)CCOC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-13(6-7-16-10-13)9-15(3)12-4-5-12/h11-12,14H,4-10H2,1-3H3
InChIKeyTZBZWYBFLKPZKW-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62261432) is N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine is CC(C)NCC1(CN(C)C2CC2)CCOC1.
What is the InChIKey of N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is TZBZWYBFLKPZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-8-13(6-7-16-10-13)9-15(3)12-4-5-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62261432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).