N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine

C10H21NO2 — CID 20598490

IUPACN-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCCCC1(CCCNC)OCCO1
InChIInChI=1S/C10H21NO2/c1-3-5-10(6-4-7-11-2)12-8-9-13-10/h11H,3-9H2,1-2H3
InChIKeyVHNLTIZVQZKWIU-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds6

About N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine

N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine (PubChem CID 20598490) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine
PubChem CID20598490
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCCCC1(CCCNC)OCCO1
InChIInChI=1S/C10H21NO2/c1-3-5-10(6-4-7-11-2)12-8-9-13-10/h11H,3-9H2,1-2H3
InChIKeyVHNLTIZVQZKWIU-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
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-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine (CID 20598490) is N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine is CCCC1(CCCNC)OCCO1.
What is the InChIKey of N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine?
The InChIKey is VHNLTIZVQZKWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-10(6-4-7-11-2)12-8-9-13-10/h11H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine?
N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine is sourced from PubChem (CID 20598490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).