N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine

C14H25NO2 — CID 66472122

IUPACN,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine
SMILESC1COC(CCN(CC2CC2)CC2CC2)OC1
InChIInChI=1S/C14H25NO2/c1-8-16-14(17-9-1)6-7-15(10-12-2-3-12)11-13-4-5-13/h12-14H,1-11H2
InChIKeyPQUKIRJZIFLUIJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.26
Rot. Bonds7

About N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine

N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine (PubChem CID 66472122) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine
PubChem CID66472122
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine
SMILESC1COC(CCN(CC2CC2)CC2CC2)OC1
InChIInChI=1S/C14H25NO2/c1-8-16-14(17-9-1)6-7-15(10-12-2-3-12)11-13-4-5-13/h12-14H,1-11H2
InChIKeyPQUKIRJZIFLUIJ-UHFFFAOYSA-N
XLogP2.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine?
The IUPAC name of N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine (CID 66472122) is N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine is C1COC(CCN(CC2CC2)CC2CC2)OC1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine?
The InChIKey is PQUKIRJZIFLUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-8-16-14(17-9-1)6-7-15(10-12-2-3-12)11-13-4-5-13/h12-14H,1-11H2.
What are the key properties of N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine?
N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-2-(1,3-dioxan-2-yl)ethanamine is sourced from PubChem (CID 66472122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).