N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine

C14H30N2O — CID 62261713

IUPACN-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
SMILESCCCCN(C)CC1(CNC(C)C)CCOC1
InChIInChI=1S/C14H30N2O/c1-5-6-8-16(4)11-14(7-9-17-12-14)10-15-13(2)3/h13,15H,5-12H2,1-4H3
InChIKeyXPGBOBIQDQWCFR-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

About N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine

N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine (PubChem CID 62261713) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
PubChem CID62261713
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
SMILESCCCCN(C)CC1(CNC(C)C)CCOC1
InChIInChI=1S/C14H30N2O/c1-5-6-8-16(4)11-14(7-9-17-12-14)10-15-13(2)3/h13,15H,5-12H2,1-4H3
InChIKeyXPGBOBIQDQWCFR-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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]butan-1-amine?
The IUPAC name of N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine (CID 62261713) is N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine is CCCCN(C)CC1(CNC(C)C)CCOC1.
What is the InChIKey of N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine?
The InChIKey is XPGBOBIQDQWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-8-16(4)11-14(7-9-17-12-14)10-15-13(2)3/h13,15H,5-12H2,1-4H3.
What are the key properties of N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine?
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 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]butan-1-amine is sourced from PubChem (CID 62261713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).