2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine

C12H25NO — CID 62726354

IUPAC2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CC1CCCO1
InChIInChI=1S/C12H25NO/c1-4-7-13-10-12(2,3)9-11-6-5-8-14-11/h11,13H,4-10H2,1-3H3
InChIKeyNKVSLSSKWHUGEU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine

2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 62726354) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID62726354
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CC1CCCO1
InChIInChI=1S/C12H25NO/c1-4-7-13-10-12(2,3)9-11-6-5-8-14-11/h11,13H,4-10H2,1-3H3
InChIKeyNKVSLSSKWHUGEU-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 62726354) is 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNCC(C)(C)CC1CCCO1.
What is the InChIKey of 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is NKVSLSSKWHUGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-13-10-12(2,3)9-11-6-5-8-14-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine?
2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62726354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).