N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride

C14H28ClNO2 — CID 13370194

IUPACN-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCC1COC2(CCCCC2)C(C)O1.Cl
InChIInChI=1S/C14H27NO2.ClH/c1-11(2)15-9-13-10-16-14(12(3)17-13)7-5-4-6-8-14;/h11-13,15H,4-10H2,1-3H3;1H
InChIKeyGRHTWSMAZATPNF-UHFFFAOYSA-N
MW277.84 g/mol
LogP2.91
Rot. Bonds3

About N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride

N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride (PubChem CID 13370194) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride
PubChem CID13370194
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC NameN-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCC1COC2(CCCCC2)C(C)O1.Cl
InChIInChI=1S/C14H27NO2.ClH/c1-11(2)15-9-13-10-16-14(12(3)17-13)7-5-4-6-8-14;/h11-13,15H,4-10H2,1-3H3;1H
InChIKeyGRHTWSMAZATPNF-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride (CID 13370194) is N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride is CC(C)NCC1COC2(CCCCC2)C(C)O1.Cl.
What is the InChIKey of N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride?
The InChIKey is GRHTWSMAZATPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.ClH/c1-11(2)15-9-13-10-16-14(12(3)17-13)7-5-4-6-8-14;/h11-13,15H,4-10H2,1-3H3;1H.
What are the key properties of N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride?
N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 13370194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).