(4-methyloxan-4-yl)methanamine;propane

C10H23NO — CID 143156703

IUPAC(4-methyloxan-4-yl)methanamine;propane
SMILESCC1(CN)CCOCC1.CCC
InChIInChI=1S/C7H15NO.C3H8/c1-7(6-8)2-4-9-5-3-7;1-3-2/h2-6,8H2,1H3;3H2,1-2H3
InChIKeyPPLNGCPZGFVCRY-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds1

About (4-methyloxan-4-yl)methanamine;propane

(4-methyloxan-4-yl)methanamine;propane (PubChem CID 143156703) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (4-methyloxan-4-yl)methanamine;propane.

Molecular Properties

Compound Name(4-methyloxan-4-yl)methanamine;propane
PubChem CID143156703
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(4-methyloxan-4-yl)methanamine;propane
SMILESCC1(CN)CCOCC1.CCC
InChIInChI=1S/C7H15NO.C3H8/c1-7(6-8)2-4-9-5-3-7;1-3-2/h2-6,8H2,1H3;3H2,1-2H3
InChIKeyPPLNGCPZGFVCRY-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl)methanamine;propane?
The IUPAC name of (4-methyloxan-4-yl)methanamine;propane (CID 143156703) is (4-methyloxan-4-yl)methanamine;propane.
What is the SMILES notation for (4-methyloxan-4-yl)methanamine;propane?
The canonical SMILES for (4-methyloxan-4-yl)methanamine;propane is CC1(CN)CCOCC1.CCC.
What is the InChIKey of (4-methyloxan-4-yl)methanamine;propane?
The InChIKey is PPLNGCPZGFVCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C3H8/c1-7(6-8)2-4-9-5-3-7;1-3-2/h2-6,8H2,1H3;3H2,1-2H3.
What are the key properties of (4-methyloxan-4-yl)methanamine;propane?
(4-methyloxan-4-yl)methanamine;propane has a molecular weight of 173.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl)methanamine;propane is sourced from PubChem (CID 143156703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).