N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine

C18H37NO2 — CID 130426583

IUPACN-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine
SMILESCCCCCCC(C)(CCCCCC)NCC1OCCO1
InChIInChI=1S/C18H37NO2/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)19-16-17-20-14-15-21-17/h17,19H,4-16H2,1-3H3
InChIKeyCDQPAJUEEDLKHK-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.65
Rot. Bonds13

About N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine

N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine (PubChem CID 130426583) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine
PubChem CID130426583
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine
SMILESCCCCCCC(C)(CCCCCC)NCC1OCCO1
InChIInChI=1S/C18H37NO2/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)19-16-17-20-14-15-21-17/h17,19H,4-16H2,1-3H3
InChIKeyCDQPAJUEEDLKHK-UHFFFAOYSA-N
XLogP4.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine (CID 130426583) is N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine is CCCCCCC(C)(CCCCCC)NCC1OCCO1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine?
The InChIKey is CDQPAJUEEDLKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)19-16-17-20-14-15-21-17/h17,19H,4-16H2,1-3H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine?
N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine has a molecular weight of 299.50 g/mol, XLogP of 4.65, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-7-methyltridecan-7-amine is sourced from PubChem (CID 130426583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).