N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

C15H30N2O — CID 103034875

IUPACN-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCOC(C)(C)CCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-15(2,18-3)8-11-17(14-4-5-14)12-13-6-9-16-10-7-13/h13-14,16H,4-12H2,1-3H3
InChIKeyNDXNVRIJVRHMCR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds7

About N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 103034875) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID103034875
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCOC(C)(C)CCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-15(2,18-3)8-11-17(14-4-5-14)12-13-6-9-16-10-7-13/h13-14,16H,4-12H2,1-3H3
InChIKeyNDXNVRIJVRHMCR-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 103034875) is N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is COC(C)(C)CCN(CC1CCNCC1)C1CC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is NDXNVRIJVRHMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,18-3)8-11-17(14-4-5-14)12-13-6-9-16-10-7-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 103034875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).